Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H10ClNS

Suppliers	Catalog Number
Enamine	EN300-28272

Database	Data ID
PubChem	12790769

M. W.

175.679

CAS

40516-58-3

Similarity

N/A

ID: 253952

5-(1-chloroethyl)-3-methyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C5H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-28274

Database	Data ID
PubChem	12941959

M. W.

146.57488

CAS

Similarity

N/A

ID: 253953

5-(1-chloroethyl)-3-ethyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C6H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-28275

Database	Data ID
PubChem	19764151

M. W.

160.60146

CAS

Similarity

N/A

ID: 253954

5-chloro-2-(piperidin-1-yl)pyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C10H12ClN3O2

Suppliers	Catalog Number
Enamine	EN300-28277

Database	Data ID
PubChem	2325055

M. W.

241.67418

CAS

Similarity

N/A

ID: 253955

4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-oxazole

$$$$ Data

M. F.

C11H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-28278

Database	Data ID
PubChem	19958794

M. W.

223.6556

CAS

Similarity

N/A

ID: 253956

1λ⁶-thiolane-1,1,3-trione

$$$$ Data

M. F.

C4H6O3S

Suppliers	Catalog Number
ChemBridge	4021927
Enamine	EN300-28283

Database	Data ID
PubChem	5150067

M. W.

134.15364

CAS

17115-51-4

Similarity

N/A

ID: 253957

1-benzylpiperidine-3-sulfonamide

$$$$ Data

M. F.

C12H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-28284

Database	Data ID
PubChem	17480860

M. W.

254.34852

CAS

Similarity

N/A

ID: 253958

methyl 2-tert-butyl-4-methyl-6-sulfanylpyrimidine-5-carboxylate

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-28285

Database	Data ID
PubChem	17485407

M. W.

240.32194

CAS

Similarity

N/A

ID: 253959

(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanamine

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Enamine	EN300-28286

Database	Data ID
PubChem	3968905

M. W.

193.2423

CAS

Similarity

N/A

ID: 253960

1-(4-fluorophenyl)cyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C11H11FO2

Suppliers	Catalog Number
Enamine	EN300-28289
A&J Pharmtech	AJA-O24437

Database	Data ID
PubChem	16769017

M. W.

194.2022432

CAS

151157-46-9

Similarity

N/A

ID: 253961

1-(3-fluorophenyl)cyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C11H11FO2

Suppliers	Catalog Number
Enamine	EN300-28290
A&J Pharmtech	AJA-O24451

Database	Data ID
PubChem	16228268

M. W.

194.2022432

CAS

179411-84-8

Similarity

N/A

ID: 253962

1-(3-methylphenyl)cyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Enamine	EN300-28291

Database	Data ID
PubChem	16228405

M. W.

190.23836

CAS

Similarity

N/A

ID: 253963

2-chloro-N-(dicyclopropylmethyl)acetamide

$$$$ Data

M. F.

C9H14ClNO

Suppliers	Catalog Number
Enamine	EN300-28293

Database	Data ID
PubChem	47002124

M. W.

187.66656

CAS

Similarity

N/A

ID: 253964

2-chloro-N-[3-(trifluoromethyl)cyclohexyl]acetamide

$$$$ Data

M. F.

C9H13ClF3NO

Suppliers	Catalog Number
Enamine	EN300-28294

Database	Data ID
PubChem	13488559

M. W.

243.6538296

CAS

Similarity

N/A

ID: 253965

2-chloro-N-{[2-(morpholine-4-sulfonyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C13H17ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-28297

Database	Data ID
PubChem	39869412

M. W.

332.80308

CAS

Similarity

N/A

ID: 253966

2-chloro-N-[1-(4-chlorophenyl)propyl]acetamide

$$$$ Data

M. F.

C11H13Cl2NO

Suppliers	Catalog Number
Enamine	EN300-28303

Database	Data ID
PubChem	42940860

M. W.

246.13302

CAS

Similarity

N/A

ID: 253967

2-chloro-N-{[2-(dimethylsulfamoyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C11H15ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-28306

Database	Data ID
PubChem	39869414

M. W.

290.7664

CAS

Similarity

N/A

ID: 253968

2-chloro-N-[6-(piperidin-1-yl)pyridin-3-yl]acetamide

$$$$ Data

M. F.

C12H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-28307

Database	Data ID
PubChem	24298392

M. W.

253.72794

CAS

Similarity

N/A

ID: 253969

2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide

$$$$ Data

M. F.

C10H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-28309

Database	Data ID
PubChem	43424767

M. W.

216.70778

CAS

Similarity

N/A

ID: 253970

N-{4-[(2-chloroacetamido)methyl]phenyl}cyclopropanecarboxamide

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28311

Database	Data ID
PubChem	43244644

M. W.

266.7234

CAS

Similarity

N/A

ID: 253971

2-chloro-N-[cyclopropyl(4-methoxyphenyl)methyl]acetamide

$$$$ Data

M. F.

C13H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-28315

Database	Data ID
PubChem	42940861

M. W.

253.72464

CAS

Similarity

N/A

ID: 253972

2-chloro-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

$$$$ Data

M. F.

C12H12ClN3O

Suppliers	Catalog Number
Enamine	EN300-28319

Database	Data ID
PubChem	43132169

M. W.

249.69618

CAS

Similarity

N/A

ID: 253973

N-[(1-benzyl-3-phenyl-1H-pyrazol-4-yl)methyl]-2-chloroacetamide

$$$$ Data

M. F.

C19H18ClN3O

Suppliers	Catalog Number
Enamine	EN300-28320

Database	Data ID
PubChem	52908091

M. W.

339.81872

CAS

Similarity

N/A

ID: 253974

2-chloro-N-[(1-phenylcyclopentyl)methyl]acetamide

$$$$ Data

M. F.

C14H18ClNO

Suppliers	Catalog Number
Enamine	EN300-28323

Database	Data ID
PubChem	690065

M. W.

251.75182

CAS

Similarity

N/A

ID: 253975

2-chloro-N-{[2-(1H-pyrazol-1-ylmethyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C13H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-28324

Database	Data ID
PubChem	52908092

M. W.

263.72276

CAS

Similarity

N/A

ID: 253976

2-chloro-N-[cyclopropyl(4-methylphenyl)methyl]acetamide

$$$$ Data

M. F.

C13H16ClNO

Suppliers	Catalog Number
Enamine	EN300-28327

Database	Data ID
PubChem	42940862

M. W.

237.72524

CAS

Similarity

N/A

ID: 253977

2-chloro-N-{[6-(morpholin-4-yl)pyridin-3-yl]methyl}acetamide

$$$$ Data

M. F.

C12H16ClN3O2

Suppliers	Catalog Number
Enamine	EN300-28329

Database	Data ID
PubChem	43244645

M. W.

269.72734

CAS

Similarity

N/A

ID: 253978

2-chloro-N-(3-phenylprop-2-yn-1-yl)acetamide

$$$$ Data

M. F.

C11H10ClNO

Suppliers	Catalog Number
Enamine	EN300-28330

Database	Data ID
PubChem	52908093

M. W.

207.6562

CAS

Similarity

N/A

ID: 253979

2-chloro-N-({2-[(morpholine-4-sulfonyl)methyl]phenyl}methyl)acetamide

$$$$ Data

M. F.

C14H19ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-28333

Database	Data ID
PubChem	39869417

M. W.

346.82966

CAS

Similarity

N/A

ID: 253980

2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

$$$$ Data

M. F.

C10H11ClFNO

Suppliers	Catalog Number
Enamine	EN300-28336

Database	Data ID
PubChem	25323827

M. W.

215.6518432

CAS

Similarity

N/A

ID: 253981

2-chloro-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide

$$$$ Data

M. F.

C13H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-28337

Database	Data ID
PubChem	50988911

M. W.

263.72276

CAS

Similarity

N/A

ID: 253982

2-chloro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]acetamide

$$$$ Data

M. F.

C8H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28340

Database	Data ID
PubChem	45791361

M. W.

204.65402

CAS

Similarity

N/A

ID: 253983

2-chloro-N-(cyanomethyl)acetamide

$$$$ Data

M. F.

C4H5ClN2O

Suppliers	Catalog Number
Enamine	EN300-28347

Database	Data ID
PubChem	15567857

M. W.

132.5483

CAS

Similarity

N/A

ID: 253984

2-chloro-N-[cyclopropyl(phenyl)methyl]acetamide

$$$$ Data

M. F.

C12H14ClNO

Suppliers	Catalog Number
Enamine	EN300-28350

Database	Data ID
PubChem	43244649

M. W.

223.69866

CAS

Similarity

N/A

ID: 253985

2-chloro-N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide

$$$$ Data

M. F.

C12H9ClF3NO

Suppliers	Catalog Number
Enamine	EN300-28351

Database	Data ID
PubChem	54592437

M. W.

275.6541696

CAS

Similarity

N/A

ID: 253986

2-chloro-N-[(1-phenylcyclobutyl)methyl]acetamide

$$$$ Data

M. F.

C13H16ClNO

Suppliers	Catalog Number
Enamine	EN300-28357

Database	Data ID
PubChem	39869419

M. W.

237.72524

CAS

Similarity

N/A

ID: 253987

2-chloro-N-{[2-(piperidine-1-sulfonyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C14H19ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-28358

Database	Data ID
PubChem	39869421

M. W.

330.83026

CAS

Similarity

N/A

ID: 253988

2-chloro-N-[(1-phenylcyclopropyl)methyl]acetamide

$$$$ Data

M. F.

C12H14ClNO

Suppliers	Catalog Number
Enamine	EN300-28364

Database	Data ID
PubChem	39869424

M. W.

223.69866

CAS

Similarity

N/A

ID: 253989

2-chloro-N-(4-phenylbutyl)acetamide

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Enamine	EN300-28381

Database	Data ID
PubChem	3624548

M. W.

225.71454

CAS

Similarity

N/A

ID: 253990

2-chloro-N-{[4-(morpholine-4-carbonyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C14H17ClN2O3

Suppliers	Catalog Number
Enamine	EN300-28382

Database	Data ID
PubChem	39869427

M. W.

296.74938

CAS

Similarity

N/A

ID: 253991

2-chloro-N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C14H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28384

Database	Data ID
PubChem	39869430

M. W.

280.74998

CAS

Similarity

N/A

ID: 253992

2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

$$$$ Data

M. F.

C11H21ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28385

Database	Data ID
PubChem	45791362

M. W.

248.74964

CAS

Similarity

N/A

ID: 253993

2-chloro-N-{phenyl[2-(trifluoromethyl)-1H-1,3-benzodiazol-5-yl]methyl}acetamide

$$$$ Data

M. F.

C17H13ClF3N3O

Suppliers	Catalog Number
Enamine	EN300-28390

Database	Data ID
PubChem	47002125

M. W.

367.7528296

CAS

Similarity

N/A

ID: 253994

2-chloro-N-[2-(trifluoromethyl)cyclohexyl]acetamide

$$$$ Data

M. F.

C9H13ClF3NO

Suppliers	Catalog Number
Enamine	EN300-28391

Database	Data ID
PubChem	43424769

M. W.

243.6538296

CAS

Similarity

N/A

ID: 253995

3-(2-chloroacetamido)-N,N-dimethylbenzamide

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28399

Database	Data ID
PubChem	25323828

M. W.

240.68612

CAS

Similarity

N/A

ID: 253996

N-{3-[(2-chloroacetamido)methyl]phenyl}cyclopropanecarboxamide

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-28405

Database	Data ID
PubChem	39869433

M. W.

266.7234

CAS

Similarity

N/A

ID: 253997

2-chloro-N-{4-[2-(morpholin-4-yl)acetamido]phenyl}acetamide

$$$$ Data

M. F.

C14H18ClN3O3

Suppliers	Catalog Number
Enamine	EN300-28406

Database	Data ID
PubChem	28818745

M. W.

311.76402

CAS

Similarity

N/A

ID: 253998

2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide

$$$$ Data

M. F.

C9H13ClF3NO

Suppliers	Catalog Number
Enamine	EN300-28407

Database	Data ID
PubChem	43424770

M. W.

243.6538296

CAS

Similarity

N/A

ID: 253999

ethyl 4-[(phenoxycarbonyl)amino]benzoate

$$$$ Data

M. F.

C16H15NO4

Suppliers	Catalog Number
Enamine	EN300-28428

Database	Data ID
PubChem	745537

M. W.

285.2946

CAS

Similarity

N/A

ID: 254000

phenyl N-(4-acetylphenyl)carbamate

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Enamine	EN300-28429

Database	Data ID
PubChem	806009

M. W.

255.26862

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