Chembase list of 866358 unique molecular structures

2-(3-chlorophenyl)-2,2-difluoroacetamide

$$$$ Data

M. F.

C8H6ClF2NO

Suppliers	Catalog Number
Enamine	EN300-96774

Database	Data ID
PubChem	57722721

M. W.

205.5891464

CAS

Similarity

N/A

ID: 285452

2-(4-chlorophenyl)-2,2-difluoroacetamide

$$$$ Data

M. F.

C8H6ClF2NO

Suppliers	Catalog Number
Enamine	EN300-96775

Database	Data ID
PubChem	73994684

M. W.

205.5891464

CAS

Similarity

N/A

ID: 285453

9H-carbazole-3-sulfonyl chloride

$$$$ Data

M. F.

C12H8ClNO2S

Suppliers	Catalog Number
Enamine	EN300-96777

Database	Data ID
PubChem	13828048

M. W.

265.71542

CAS

Similarity

N/A

ID: 285454

9H-carbazole-3-sulfonamide

$$$$ Data

M. F.

C12H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-96778

Database	Data ID
PubChem	63841147

M. W.

246.285

CAS

Similarity

N/A

ID: 285455

1-[4-(pyridin-4-yl)phenyl]ethan-1-amine

$$$$ Data

M. F.

C13H14N2

Suppliers	Catalog Number
Enamine	EN300-96779

Database	Data ID
PubChem	56828849

M. W.

198.26366

CAS

Similarity

N/A

ID: 285456

thiophen-2-ylmethyl 2-fluoropyridine-4-carboxylate

$$$$ Data

M. F.

C11H8FNO2S

Suppliers	Catalog Number
Enamine	EN300-96780

Database	Data ID
PubChem	56828171

M. W.

237.2501232

CAS

Similarity

N/A

ID: 285457

4-(1H-1,3-benzodiazol-1-yl)phenol

$$$$ Data

M. F.

C13H10N2O

Suppliers	Catalog Number
Enamine	EN300-96781

Database	Data ID
PubChem	5328449

M. W.

210.2313

CAS

Similarity

N/A

ID: 285458

1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinoxaline

$$$$ Data

M. F.

C10H11F3N2

Suppliers	Catalog Number
Enamine	EN300-96782

Database	Data ID
PubChem	56828564

M. W.

216.2029496

CAS

Similarity

N/A

ID: 285459

2-sulfanylidene-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C9H9NO2S

Suppliers	Catalog Number
Enamine	EN300-96784

Database	Data ID
PubChem	62702323

M. W.

195.23826

CAS

Similarity

N/A

ID: 285460

(3-aminopropyl)bis(propan-2-yl)amine

$$$$ Data

M. F.

C9H22N2

Suppliers	Catalog Number
Enamine	EN300-96785

Database	Data ID
PubChem	13802779

M. W.

158.28438

CAS

Similarity

N/A

ID: 285461

2-(4-aminocyclohexyl)-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C9H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-96786

Database	Data ID
PubChem	43653698

M. W.

218.31642

CAS

Similarity

N/A

ID: 285462

N-ethyl-2-methanesulfonylaniline

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-96787

Database	Data ID
PubChem	43388029

M. W.

199.27002

CAS

Similarity

N/A

ID: 285463

2-(ethanesulfonyl)-N-methylaniline

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-96789

Database	Data ID
PubChem	43453541

M. W.

199.27002

CAS

Similarity

N/A

ID: 285464

(trimethoxymethyl)cyclopropane

$$$$ Data

M. F.

C7H14O3

Suppliers	Catalog Number
Enamine	EN300-96791

Database	Data ID
PubChem	14860741

M. W.

146.18426

CAS

Similarity

N/A

ID: 285465

3-[3-(trifluoromethyl)phenyl]butan-1-amine

$$$$ Data

M. F.

C11H14F3N

Suppliers	Catalog Number
Enamine	EN300-96801

Database	Data ID
PubChem	56687084

M. W.

217.2307696

CAS

Similarity

N/A

ID: 285466

N-(4-ethoxy-3-methoxyphenyl)prop-2-enamide

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Enamine	EN300-96802

Database	Data ID
PubChem	43616520

M. W.

221.2524

CAS

Similarity

N/A

ID: 285467

N-propylcyclopropanamine hydrochloride

$$$$ Data

M. F.

C6H14ClN

Suppliers	Catalog Number
Enamine	EN300-96803

Database	Data ID
PubChem	18516031

M. W.

135.63506

CAS

Similarity

N/A

ID: 285468

2-amino-4-ethylphenol hydrochloride

$$$$ Data

M. F.

C8H12ClNO

Suppliers	Catalog Number
Enamine	EN300-96804

Database	Data ID
PubChem	20454289

M. W.

173.63998

CAS

Similarity

N/A

ID: 285469

2-(1H-1,3-benzodiazol-1-yl)ethanimidamide dihydrochloride

$$$$ Data

M. F.

C9H12Cl2N4

Suppliers	Catalog Number
Enamine	EN300-96805

Database	Data ID
PubChem	56828172

M. W.

247.12438

CAS

Similarity

N/A

ID: 285470

2-amino-2-cyclobutylacetic acid hydrochloride

$$$$ Data

M. F.

C6H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-96807

Database	Data ID
PubChem	56828173

M. W.

165.61798

CAS

Similarity

N/A

ID: 285471

2-(piperidin-4-yloxy)acetamide hydrochloride

$$$$ Data

M. F.

C7H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-96808

Database	Data ID
PubChem	56828174

M. W.

194.6592

CAS

Similarity

N/A

ID: 285472

2-(bromomethyl)-4-chloro-1-nitrobenzene

$$$$ Data

M. F.

C7H5BrClNO2

Suppliers	Catalog Number
Enamine	EN300-96809
Bide Pharmatech	BD162876

Database	Data ID
PubChem	12423127

M. W.

250.4771

CAS

31577-25-0

Similarity

N/A

ID: 285473

4-(3-fluorophenyl)-3-methylbutanoic acid

$$$$ Data

M. F.

C11H13FO2

Suppliers	Catalog Number
Enamine	EN300-96810

Database	Data ID
PubChem	56828175

M. W.

196.2181232

CAS

Similarity

N/A

ID: 285474

2-(3-fluorophenyl)-3-methylpyrrolidine

$$$$ Data

M. F.

C11H14FN

Suppliers	Catalog Number
Enamine	EN300-96811

Database	Data ID
PubChem	3582862

M. W.

179.2339632

CAS

Similarity

N/A

ID: 285475

1-(aminomethyl)-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide

$$$$ Data

M. F.

C15H22N2O

Suppliers	Catalog Number
Enamine	EN300-96812

Database	Data ID
PubChem	61830027

M. W.

246.34798

CAS

Similarity

N/A

ID: 285476

N-methyl-2-(piperidin-4-yl)acetamide

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
ChemBridge	4032563
Enamine	EN300-96814

Database	Data ID
PubChem	20569899

M. W.

156.22544

CAS

70724-80-0

Similarity

N/A

ID: 285477

1-(pyridin-4-yl)propan-2-ol

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
Enamine	EN300-96815

Database	Data ID
PubChem	20528722

M. W.

137.17904

CAS

Similarity

N/A

ID: 285478

1,2-oxazole-3-carbonitrile

$$$$ Data

M. F.

C4H2N2O

Suppliers	Catalog Number
Enamine	EN300-96816
A&J Pharmtech	AJA-O13002 AJA-O11277

Database	Data ID
PubChem	22624610

M. W.

94.07148

CAS

68776-57-8

Similarity

N/A

ID: 285479

6-bromo-8-hydrazinylimidazo[1,2-a]pyrazine

$$$$ Data

M. F.

C6H6BrN5

Suppliers	Catalog Number
Enamine	EN300-96819

Database	Data ID
PubChem	73994685

M. W.

228.04934

CAS

Similarity

N/A

ID: 285480

diethyl [(2,5-dichlorophenyl)methyl]phosphonate

$$$$ Data

M. F.

C11H15Cl2O3P

Suppliers	Catalog Number
Enamine	EN300-96821

Database	Data ID
PubChem	10803930

M. W.

297.114761

CAS

Similarity

N/A

ID: 285481

4-(1H-pyrrole-3-carbonyl)benzoic acid

$$$$ Data

M. F.

C12H9NO3

Suppliers	Catalog Number
Enamine	EN300-96823

Database	Data ID
PubChem	72115115

M. W.

215.20476

CAS

Similarity

N/A

ID: 285482

methyl 4-(1H-pyrrole-3-carbonyl)benzoate

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Enamine	EN300-96824

Database	Data ID
PubChem	72115114

M. W.

229.23134

CAS

Similarity

N/A

ID: 285483

1-[2-(difluoromethoxy)-4-fluorophenyl]ethan-1-one

$$$$ Data

M. F.

C9H7F3O2

Suppliers	Catalog Number
Enamine	EN300-96831

Database	Data ID
PubChem	46311632

M. W.

204.1458896

CAS

Similarity

N/A

ID: 285484

1-[2-(difluoromethoxy)-4-fluorophenyl]ethan-1-ol

$$$$ Data

M. F.

C9H9F3O2

Suppliers	Catalog Number
Enamine	EN300-96832

Database	Data ID
PubChem	63067679

M. W.

206.1617696

CAS

Similarity

N/A

ID: 285485

1,1,1-trifluoropropane-2-sulfonyl chloride

$$$$ Data

M. F.

C3H4ClF3O2S

Suppliers	Catalog Number
Enamine	EN300-96833

Database	Data ID
PubChem	73994686

M. W.

196.5758696

CAS

Similarity

N/A

ID: 285486

8-chloro-[1,2,3,4]tetrazolo[1,5-a]pyrazine

$$$$ Data

M. F.

C4H2ClN5

Suppliers	Catalog Number
Enamine	EN300-96835

Database	Data ID
PubChem	12693190

M. W.

155.54518

CAS

Similarity

N/A

ID: 285487

3-phenylbutan-2-one

$$$$ Data

M. F.

C10H12O

Suppliers	Catalog Number
Enamine	EN300-96836

Database	Data ID
PubChem	97744

M. W.

148.20168

CAS

Similarity

N/A

ID: 285488

methyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Enamine	EN300-96837

Database	Data ID
PubChem	12728516

M. W.

206.23776

CAS

Similarity

N/A

ID: 285489

4-fluoro-2,3-dihydro-1H-inden-1-ol

$$$$ Data

M. F.

C9H9FO

Suppliers	Catalog Number
Enamine	EN300-96844

Database	Data ID
PubChem	59202298

M. W.

152.1655632

CAS

Similarity

N/A

ID: 285490

methyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate

$$$$ Data

M. F.

C8H11BrN2O2

Suppliers	Catalog Number
Enamine	EN300-96855

Database	Data ID
PubChem	17024814

M. W.

247.08914

CAS

Similarity

N/A

ID: 285491

2-(hydroxymethyl)-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-96857

Database	Data ID
PubChem	16769032

M. W.

258.2957

CAS

Similarity

N/A

ID: 285492

methyl 3-amino-5-chloro-2-fluorobenzoate

$$$$ Data

M. F.

C8H7ClFNO2

Suppliers	Catalog Number
Enamine	EN300-96858

Database	Data ID
PubChem	63023498

M. W.

203.5980832

CAS

Similarity

N/A

ID: 285493

{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine

$$$$ Data

M. F.

C11H9F3N2S

Suppliers	Catalog Number
Enamine	EN300-96859

Database	Data ID
PubChem	46785470

M. W.

258.2627696

CAS

Similarity

N/A

ID: 285494

5-cyclopropyl-1,3,4-thiadiazole-2-thiol

$$$$ Data

M. F.

C5H6N2S2

Suppliers	Catalog Number
Enamine	EN300-96860

Database	Data ID
PubChem	14837632

M. W.

158.24454

CAS

Similarity

N/A

ID: 285495

4-(5-amino-1H-pyrazol-3-yl)phenol

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-96861

Database	Data ID
PubChem	22929544

M. W.

175.18726

CAS

Similarity

N/A

ID: 285496

4-amino-2-bromo-5-nitrobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H6BrN3O4S

Suppliers	Catalog Number
Enamine	EN300-96864

Database	Data ID
PubChem	73994687

M. W.

296.09854

CAS

Similarity

N/A

ID: 285497

2-(4-methylphenyl)oxan-3-amine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-96865

Database	Data ID
PubChem	73994688

M. W.

191.26948

CAS

Similarity

N/A

ID: 285498

methyl(1,3-thiazol-2-ylmethyl)amine

$$$$ Data

M. F.

C5H8N2S

Suppliers	Catalog Number
ChemBridge	2102322
Enamine	EN300-96866
A&J Pharmtech	AJA-O34305

Database	Data ID
PubChem	18939834

M. W.

128.19542

CAS

144163-68-8

Similarity

N/A

ID: 285499

{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanol

$$$$ Data

M. F.

C11H8F3NOS

Suppliers	Catalog Number
Enamine	EN300-96867

Database	Data ID
PubChem	22647407

M. W.

259.2475296

CAS

Similarity

N/A

ID: 285500

methyl({[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl})amine

$$$$ Data

M. F.

C6H7F3N2S

Suppliers	Catalog Number
Enamine	EN300-96868

Database	Data ID
PubChem	3353222

M. W.

196.1933896

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