Chembase list of 866358 unique molecular structures

ethyl 1-(2-chloropropanoyl)piperidine-3-carboxylate

$$$$ Data

M. F.

C11H18ClNO3

Suppliers	Catalog Number
Enamine	EN300-28117

Database	Data ID
PubChem	24702401

M. W.

247.71852

CAS

Similarity

N/A

ID: 253902

2-chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

$$$$ Data

M. F.

C11H15ClN4O

Suppliers	Catalog Number
Enamine	EN300-28119

Database	Data ID
PubChem	24706536

M. W.

254.716

CAS

Similarity

N/A

ID: 253903

2-chloro-N-ethyl-N-(2-methylprop-2-en-1-yl)propanamide

$$$$ Data

M. F.

C9H16ClNO

Suppliers	Catalog Number
Enamine	EN300-28124

Database	Data ID
PubChem	24703589

M. W.

189.68244

CAS

Similarity

N/A

ID: 253904

2-chloro-N-(2-cyanoethyl)-N-(4-fluorophenyl)propanamide

$$$$ Data

M. F.

C12H12ClFN2O

Suppliers	Catalog Number
Enamine	EN300-28128

Database	Data ID
PubChem	45791359

M. W.

254.6878832

CAS

Similarity

N/A

ID: 253905

2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)propanamide

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28129

Database	Data ID
PubChem	47002123

M. W.

266.7234

CAS

Similarity

N/A

ID: 253906

2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)propanamide

$$$$ Data

M. F.

C14H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-28134

Database	Data ID
PubChem	43415458

M. W.

264.75058

CAS

Similarity

N/A

ID: 253907

2-chloro-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]propan-1-one

$$$$ Data

M. F.

C14H19ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-28135

Database	Data ID
PubChem	43415459

M. W.

330.83026

CAS

Similarity

N/A

ID: 253908

2-chloro-N-(2-cyanoethyl)-N-(4-methylphenyl)propanamide

$$$$ Data

M. F.

C13H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-28137

Database	Data ID
PubChem	45791360

M. W.

250.724

CAS

Similarity

N/A

ID: 253909

methyl 1-(2-chloropropanoyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C10H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-28138

Database	Data ID
PubChem	24692478

M. W.

233.69194

CAS

Similarity

N/A

ID: 253910

2-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Enamine	EN300-28149

Database	Data ID
PubChem	43420152

M. W.

225.71454

CAS

Similarity

N/A

ID: 253911

2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)propan-1-one

$$$$ Data

M. F.

C11H12ClNOS

Suppliers	Catalog Number
Enamine	EN300-28150

Database	Data ID
PubChem	43244636

M. W.

241.73708

CAS

Similarity

N/A

ID: 253912

2-chloro-N-(1,1-dioxo-1λ⁶-thiolan-3-yl)-N-propylpropanamide

$$$$ Data

M. F.

C10H18ClNO3S

Suppliers	Catalog Number
Enamine	EN300-28151

Database	Data ID
PubChem	43810464

M. W.

267.77282

CAS

Similarity

N/A

ID: 253913

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylpropanamide

$$$$ Data

M. F.

C13H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-28155

Database	Data ID
PubChem	43244638

M. W.

269.72404

CAS

Similarity

N/A

ID: 253914

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide

$$$$ Data

M. F.

C13H18ClNO3

Suppliers	Catalog Number
Enamine	EN300-28160

Database	Data ID
PubChem	43132166

M. W.

271.73992

CAS

Similarity

N/A

ID: 253915

2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide

$$$$ Data

M. F.

C12H15Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-28162

Database	Data ID
PubChem	42940265

M. W.

276.159

CAS

Similarity

N/A

ID: 253916

2-chloro-1-[2-(thiophen-2-yl)pyrrolidin-1-yl]propan-1-one

$$$$ Data

M. F.

C11H14ClNOS

Suppliers	Catalog Number
Enamine	EN300-28164

Database	Data ID
PubChem	56828238

M. W.

243.75296

CAS

Similarity

N/A

ID: 253917

2-chloro-N-(1-cyano-4-methylcyclohexyl)-N-methylpropanamide

$$$$ Data

M. F.

C12H19ClN2O

Suppliers	Catalog Number
Enamine	EN300-28168

Database	Data ID
PubChem	54592435

M. W.

242.74506

CAS

Similarity

N/A

ID: 253918

N-[(4-bromophenyl)methyl]-2-chloro-N-methylpropanamide

$$$$ Data

M. F.

C11H13BrClNO

Suppliers	Catalog Number
Enamine	EN300-28170

Database	Data ID
PubChem	43244641

M. W.

290.58402

CAS

Similarity

N/A

ID: 253919

2-chloro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

$$$$ Data

M. F.

C13H16ClNO

Suppliers	Catalog Number
Enamine	EN300-28175

Database	Data ID
PubChem	24692156

M. W.

237.72524

CAS

Similarity

N/A

ID: 253920

1-(2-chloropropanoyl)piperidine-3-carboxamide

$$$$ Data

M. F.

C9H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28177

Database	Data ID
PubChem	24691104

M. W.

218.6806

CAS

Similarity

N/A

ID: 253921

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

$$$$ Data

M. F.

C11H12Cl2FNO

Suppliers	Catalog Number
Enamine	EN300-28179

Database	Data ID
PubChem	43415463

M. W.

264.1234832

CAS

Similarity

N/A

ID: 253922

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide

$$$$ Data

M. F.

C12H15ClFNO2

Suppliers	Catalog Number
Enamine	EN300-28187

Database	Data ID
PubChem	43415465

M. W.

259.7044032

CAS

Similarity

N/A

ID: 253923

N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-N-methylpropanamide

$$$$ Data

M. F.

C12H13ClN2OS

Suppliers	Catalog Number
Enamine	EN300-28193

Database	Data ID
PubChem	43244642

M. W.

268.76242

CAS

Similarity

N/A

ID: 253924

2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide

$$$$ Data

M. F.

C16H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-28195

Database	Data ID
PubChem	54592436

M. W.

291.77262

CAS

Similarity

N/A

ID: 253925

2-chloro-N-[(cyclopropylcarbamoyl)methyl]-N-methylpropanamide

$$$$ Data

M. F.

C9H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28196

Database	Data ID
PubChem	43420153

M. W.

218.6806

CAS

Similarity

N/A

ID: 253926

2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide

$$$$ Data

M. F.

C11H14ClNOS

Suppliers	Catalog Number
Enamine	EN300-28198

Database	Data ID
PubChem	50987501

M. W.

243.75296

CAS

Similarity

N/A

ID: 253927

N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(2-met...

$$$$ Data

M. F.

C14H23ClN4O4

Suppliers	Catalog Number
Enamine	EN300-28205

Database	Data ID
PubChem	42940266

M. W.

346.80982

CAS

Similarity

N/A

ID: 253928

2-chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one

$$$$ Data

M. F.

C10H12ClNOS

Suppliers	Catalog Number
Enamine	EN300-28211

Database	Data ID
PubChem	24696613

M. W.

229.72638

CAS

Similarity

N/A

ID: 253929

5-nitro-2-oxo-1,2-dihydropyridine-3-carboxamide

$$$$ Data

M. F.

C6H5N3O4

Suppliers	Catalog Number
Enamine	EN300-28224

Database	Data ID
PubChem	25323802

M. W.

183.1216

CAS

Similarity

N/A

ID: 253930

3H,4H,5H-pyridazino[4,5-b]indol-4-one

$$$$ Data

M. F.

C10H7N3O

Suppliers	Catalog Number
Enamine	EN300-28227

Database	Data ID
PubChem	211266

M. W.

185.18208

CAS

Similarity

N/A

ID: 253931

1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea

$$$$ Data

M. F.

C12H17N3O2

Suppliers	Catalog Number
Enamine	EN300-28230

Database	Data ID
PubChem	43414945

M. W.

235.28228

CAS

Similarity

N/A

ID: 253932

1-(4-aminophenyl)-3-(furan-2-ylmethyl)urea

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Enamine	EN300-28231

Database	Data ID
PubChem	43414946

M. W.

231.25052

CAS

Similarity

N/A

ID: 253933

1,3-dimethyl-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C8H13N3O2

Suppliers	Catalog Number
Enamine	EN300-28235

Database	Data ID
PubChem	22108618

M. W.

183.20772

CAS

Similarity

N/A

ID: 253934

2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClNO4S

Suppliers	Catalog Number
Enamine	EN300-28236

Database	Data ID
PubChem	16769849

M. W.

259.66624

CAS

503469-97-4

Similarity

N/A

ID: 253935

2-[(3,4-dihydroquinolin-2-yl)amino]acetic acid

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Enamine	EN300-28237

Database	Data ID
PubChem	878720

M. W.

204.22518

CAS

Similarity

N/A

ID: 253936

ethyl [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C8H8N4O2

Suppliers	Catalog Number
Enamine	EN300-28238

Database	Data ID
PubChem	22110102

M. W.

192.17472

CAS

Similarity

N/A

ID: 253937

methyl 1-methanesulfonylpyrrolidine-2-carboxylate

$$$$ Data

M. F.

C7H13NO4S

Suppliers	Catalog Number
Enamine	EN300-28240

Database	Data ID
PubChem	16307882

M. W.

207.24742

CAS

Similarity

N/A

ID: 253938

(3-aminophenyl)urea

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Enamine	EN300-28242

Database	Data ID
PubChem	108806

M. W.

151.16586

CAS

25711-72-2

Similarity

N/A

ID: 253939

1-(3-aminophenyl)-3-methylurea

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Enamine	EN300-28243

Database	Data ID
PubChem	21467107

M. W.

165.19244

CAS

Similarity

N/A

ID: 253940

(E)-N-{[4-(1H-imidazol-1-yl)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C10H9N3O

Suppliers	Catalog Number
Enamine	EN300-28254

Database	Data ID
PubChem	15871014

M. W.

187.19796

CAS

Similarity

N/A

ID: 253941

1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C11H6F4N2O2

Suppliers	Catalog Number
Enamine	EN300-28259

Database	Data ID
PubChem	5057010

M. W.

274.1711528

CAS

618070-62-5

Similarity

N/A

ID: 253942

2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C9H6F3N3O2

Suppliers	Catalog Number
Enamine	EN300-28261

Database	Data ID
PubChem	2768067

M. W.

245.1580496

CAS

691868-52-7

Similarity

N/A

ID: 253943

[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

$$$$ Data

M. F.

C6H4N4O2

Suppliers	Catalog Number
Enamine	EN300-28262

Database	Data ID
PubChem	25323807

M. W.

164.12156

CAS

Similarity

N/A

ID: 253944

5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic...

$$$$ Data

M. F.

C11H5F6N3O2

Suppliers	Catalog Number
Enamine	EN300-28263

Database	Data ID
PubChem	17485406

M. W.

325.1667192

CAS

Similarity

N/A

ID: 253945

1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7F3N4O3

Suppliers	Catalog Number
Enamine	EN300-28264

Database	Data ID
PubChem	17485405

M. W.

288.1827896

CAS

Similarity

N/A

ID: 253946

ethyl 5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carb...

$$$$ Data

M. F.

C13H9F6N3O2

Suppliers	Catalog Number
Enamine	EN300-28265

Database	Data ID
PubChem	25323810

M. W.

353.2198792

CAS

Similarity

N/A

ID: 253947

ethyl 1-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C11H8ClF3N4O2

Suppliers	Catalog Number
Enamine	EN300-28266

Database	Data ID
PubChem	25323811

M. W.

320.6550296

CAS

Similarity

N/A

ID: 253948

ethyl 1-(3-cyanophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C14H10F3N3O2

Suppliers	Catalog Number
Enamine	EN300-28267

Database	Data ID
PubChem	17485404

M. W.

309.2433096

CAS

Similarity

N/A

ID: 253949

methyl 2-{2-azabicyclo[2.2.1]hept-5-en-2-yl}acetate

$$$$ Data

M. F.

C9H13NO2

Suppliers	Catalog Number
Enamine	EN300-28269

Database	Data ID
PubChem	13875032

M. W.

167.20502

CAS

Similarity

N/A

ID: 253950

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylsulfamoyl chloride

$$$$ Data

M. F.

C8H8Cl2FNO2S

Suppliers	Catalog Number
Enamine	EN300-28270

Database	Data ID
PubChem	16228391

M. W.

272.1240232

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified