Chembase list of 866358 unique molecular structures

3-(2,3-dihydro-1,4-benzodioxine-6-amido)-4-methylbenzoic acid

$$$$ Data

M. F.

C17H15NO5

Suppliers	Catalog Number
Enamine	EN300-25768

Database	Data ID
PubChem	16227388

M. W.

313.3047

CAS

Similarity

N/A

ID: 252702

2-phenyl-5-sulfanyl-2,3-dihydro-1H-1,2,4-triazol-3-one

$$$$ Data

M. F.

C8H7N3OS

Suppliers	Catalog Number
Enamine	EN300-25773

Database	Data ID
PubChem	16227389

M. W.

193.22568

CAS

Similarity

N/A

ID: 252703

1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl}piperazine

$$$$ Data

M. F.

C12H21N5

Suppliers	Catalog Number
Enamine	EN300-25774

Database	Data ID
PubChem	16227390

M. W.

235.32864

CAS

Similarity

N/A

ID: 252704

3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide

$$$$ Data

M. F.

C7H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-25776

Database	Data ID
PubChem	3581927

M. W.

188.61156

CAS

Similarity

N/A

ID: 252705

N,N-diethyl-2-hydroxy-5-nitrobenzene-1-sulfonamide

$$$$ Data

M. F.

C10H14N2O5S

Suppliers	Catalog Number
Enamine	EN300-25777

Database	Data ID
PubChem	9454196

M. W.

274.29356

CAS

Similarity

N/A

ID: 252706

7-methyl-2-(trifluoromethyl)-3H,5H-[1,2,4]triazolo[1,5-a]pyridin-5-one

$$$$ Data

M. F.

C8H6F3N3O

Suppliers	Catalog Number
Enamine	EN300-25780

Database	Data ID
PubChem	16227391

M. W.

217.1479496

CAS

Similarity

N/A

ID: 252707

3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Enamine	EN300-25783

Database	Data ID
PubChem	16227392

M. W.

206.198

CAS

Similarity

N/A

ID: 252708

3-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}propanamide

$$$$ Data

M. F.

C11H16ClN3O3

Suppliers	Catalog Number
Enamine	EN300-25784

Database	Data ID
PubChem	25323408

M. W.

273.71604

CAS

Similarity

N/A

ID: 252709

2-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-amine

$$$$ Data

M. F.

C10H22N2O

Suppliers	Catalog Number
Enamine	EN300-25786

Database	Data ID
PubChem	16227393

M. W.

186.29448

CAS

Similarity

N/A

ID: 252710

{4-[(2,2,2-trifluoroethoxy)methyl]phenyl}methanamine

$$$$ Data

M. F.

C10H12F3NO

Suppliers	Catalog Number
Enamine	EN300-25788

Database	Data ID
PubChem	16227394

M. W.

219.2035896

CAS

Similarity

N/A

ID: 252711

4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine

$$$$ Data

M. F.

C15H23NO2

Suppliers	Catalog Number
Enamine	EN300-25789

Database	Data ID
PubChem	16227395

M. W.

249.34862

CAS

Similarity

N/A

ID: 252712

(6-methoxynaphthalen-2-yl)methanamine

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Enamine	EN300-25790

Database	Data ID
PubChem	16227396

M. W.

187.23772

CAS

Similarity

N/A

ID: 252713

4-aminopiperidine-1-carboxamide

$$$$ Data

M. F.

C6H13N3O

Suppliers	Catalog Number
Enamine	EN300-25791

Database	Data ID
PubChem	445261

M. W.

143.18692

CAS

Similarity

N/A

ID: 252714

2-(2,2,2-trifluoroethoxy)acetonitrile

$$$$ Data

M. F.

C4H4F3NO

Suppliers	Catalog Number
Enamine	EN300-25792

Database	Data ID
PubChem	14880147

M. W.

139.0758696

CAS

133915-26-1

Similarity

N/A

ID: 252715

methyl 2-{12-amino-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]do...

$$$$ Data

M. F.

C12H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-25793

Database	Data ID
PubChem	16227397

M. W.

263.31552

CAS

Similarity

N/A

ID: 252716

2-(chloromethyl)indolizine-1-carbonitrile

$$$$ Data

M. F.

C10H7ClN2

Suppliers	Catalog Number
Enamine	EN300-25795

Database	Data ID
PubChem	2410363

M. W.

190.62898

CAS

731821-82-2

Similarity

N/A

ID: 252717

1-[4-(hydroxyimino)piperidin-1-yl]ethan-1-one

$$$$ Data

M. F.

C7H12N2O2

Suppliers	Catalog Number
Enamine	EN300-25798

Database	Data ID
PubChem	15707988

M. W.

156.18238

CAS

Similarity

N/A

ID: 252718

4-(carbamoylmethoxy)-3-chloro-5-methoxybenzoic acid

$$$$ Data

M. F.

C10H10ClNO5

Suppliers	Catalog Number
Enamine	EN300-25799

Database	Data ID
PubChem	16227398

M. W.

259.6431

CAS

Similarity

N/A

ID: 252719

3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide

$$$$ Data

M. F.

C14H16ClN3O2

Suppliers	Catalog Number
Enamine	EN300-25806

Database	Data ID
PubChem	4107000

M. W.

293.74874

CAS

Similarity

N/A

ID: 252720

3-chloro-N-(4-sulfamoylphenyl)propanamide

$$$$ Data

M. F.

C9H11ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-25807

Database	Data ID
PubChem	4439834

M. W.

262.71324

CAS

104246-29-9

Similarity

N/A

ID: 252721

N-(2H-1,3-benzodioxol-5-yl)-3-chloropropanamide

$$$$ Data

M. F.

C10H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-25809

Database	Data ID
PubChem	1581246

M. W.

227.6443

CAS

Similarity

N/A

ID: 252722

3-chloro-N-phenylpropanamide

$$$$ Data

M. F.

C9H10ClNO

Suppliers	Catalog Number
Enamine	EN300-25810

Database	Data ID
PubChem	240404

M. W.

183.6348

CAS

3460-04-6

Similarity

N/A

ID: 252723

3-chloro-N-(2,6-dichlorophenyl)propanamide

$$$$ Data

M. F.

C9H8Cl3NO

Suppliers	Catalog Number
Enamine	EN300-25812

Database	Data ID
PubChem	360214

M. W.

252.52492

CAS

35714-74-0

Similarity

N/A

ID: 252724

3-chloro-N-(2,5-dichlorophenyl)propanamide

$$$$ Data

M. F.

C9H8Cl3NO

Suppliers	Catalog Number
Enamine	EN300-25814

Database	Data ID
PubChem	4409498

M. W.

252.52492

CAS

Similarity

N/A

ID: 252725

3-chloro-N-(naphthalen-1-yl)propanamide

$$$$ Data

M. F.

C13H12ClNO

Suppliers	Catalog Number
ChemBridge	6010676
Enamine	EN300-25817

Database	Data ID
PubChem	532063

M. W.

233.69348

CAS

22302-59-6

Similarity

N/A

ID: 252726

3-chloro-N-(3-sulfamoylphenyl)propanamide

$$$$ Data

M. F.

C9H11ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-25818

Database	Data ID
PubChem	25323413

M. W.

262.71324

CAS

Similarity

N/A

ID: 252727

N-[2,6-bis(propan-2-yl)phenyl]-3-chloropropanamide

$$$$ Data

M. F.

C15H22ClNO

Suppliers	Catalog Number
Enamine	EN300-25819

Database	Data ID
PubChem	16227399

M. W.

267.79428

CAS

Similarity

N/A

ID: 252728

3-chloro-N-[3-(pyrrolidine-1-sulfonyl)phenyl]propanamide

$$$$ Data

M. F.

C13H17ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-25821

Database	Data ID
PubChem	25323414

M. W.

316.80368

CAS

Similarity

N/A

ID: 252729

3-chloro-N-[2-chloro-5-(pyrrolidine-1-sulfonyl)phenyl]propanamide

$$$$ Data

M. F.

C13H16Cl2N2O3S

Suppliers	Catalog Number
Enamine	EN300-25824

Database	Data ID
PubChem	39869344

M. W.

351.24874

CAS

Similarity

N/A

ID: 252730

3-chloro-N-[4-(pyrrolidine-1-sulfonyl)phenyl]propanamide

$$$$ Data

M. F.

C13H17ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-25825

Database	Data ID
PubChem	17070617

M. W.

316.80368

CAS

Similarity

N/A

ID: 252731

4-(3-chloropropanamido)benzamide

$$$$ Data

M. F.

C10H11ClN2O2

Suppliers	Catalog Number
ChemBridge	5704897
Enamine	EN300-25826

Database	Data ID
PubChem	4196126

M. W.

226.65954

CAS

573994-42-0

Similarity

N/A

ID: 252732

3-chloro-N-(2-cyanophenyl)propanamide

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-25828

Database	Data ID
PubChem	4077896

M. W.

208.64426

CAS

Similarity

N/A

ID: 252733

N-(4-bromo-2-fluorophenyl)-3-chloropropanamide

$$$$ Data

M. F.

C9H8BrClFNO

Suppliers	Catalog Number
Enamine	EN300-25829

Database	Data ID
PubChem	4456031

M. W.

280.5213232

CAS

Similarity

N/A

ID: 252734

3-chloro-N-[(2-chlorophenyl)methyl]propanamide

$$$$ Data

M. F.

C10H11Cl2NO

Suppliers	Catalog Number
ChemBridge	9070851
Enamine	EN300-25830

Database	Data ID
PubChem	17126907

M. W.

232.10644

CAS

103038-66-0

Similarity

N/A

ID: 252735

3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

$$$$ Data

M. F.

C11H15ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-25832

Database	Data ID
PubChem	39869346

M. W.

290.7664

CAS

Similarity

N/A

ID: 252736

3-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

$$$$ Data

M. F.

C13H16ClNO

Suppliers	Catalog Number
Enamine	EN300-25834

Database	Data ID
PubChem	42929452

M. W.

237.72524

CAS

Similarity

N/A

ID: 252737

N-(2-benzoylphenyl)-3-chloropropanamide

$$$$ Data

M. F.

C16H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-25835

Database	Data ID
PubChem	25323415

M. W.

287.74086

CAS

Similarity

N/A

ID: 252738

3-chloro-N-(diphenylmethyl)propanamide

$$$$ Data

M. F.

C16H16ClNO

Suppliers	Catalog Number
Enamine	EN300-25838

Database	Data ID
PubChem	3646448

M. W.

273.75734

CAS

Similarity

N/A

ID: 252739

3-chloro-N-(2-phenylphenyl)propanamide

$$$$ Data

M. F.

C15H14ClNO

Suppliers	Catalog Number
Enamine	EN300-25839

Database	Data ID
PubChem	3333873

M. W.

259.73076

CAS

Similarity

N/A

ID: 252740

3-chloro-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)propanamide

$$$$ Data

M. F.

C10H10ClN3O2

Suppliers	Catalog Number
ChemBridge	7210844
Enamine	EN300-25840

Database	Data ID
PubChem	17186391

M. W.

239.6583

CAS

915920-69-3

Similarity

N/A

ID: 252741

4-(3-chloropropanamido)-N-(2-methoxyphenyl)benzamide

$$$$ Data

M. F.

C17H17ClN2O3

Suppliers	Catalog Number
Enamine	EN300-25841

Database	Data ID
PubChem	39869353

M. W.

332.78148

CAS

Similarity

N/A

ID: 252742

3-chloro-N-(2-phenoxyphenyl)propanamide

$$$$ Data

M. F.

C15H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-25842

Database	Data ID
PubChem	4426448

M. W.

275.73016

CAS

Similarity

N/A

ID: 252743

2-(3-chloropropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

$$$$ Data

M. F.

C12H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-25843

Database	Data ID
PubChem	1666398

M. W.

286.7777

CAS

Similarity

N/A

ID: 252744

3-chloro-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}propanamide

$$$$ Data

M. F.

C11H11ClN2OS

Suppliers	Catalog Number
Enamine	EN300-25844

Database	Data ID
PubChem	3496101

M. W.

254.73584

CAS

Similarity

N/A

ID: 252745

3-chloro-N-[4-(dimethylsulfamoyl)phenyl]propanamide

$$$$ Data

M. F.

C11H15ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-25845

Database	Data ID
PubChem	17147774

M. W.

290.7664

CAS

Similarity

N/A

ID: 252746

2-(3-chloropropanamido)thiophene-3-carboxamide

$$$$ Data

M. F.

C8H9ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-25846

Database	Data ID
PubChem	16227400

M. W.

232.68726

CAS

Similarity

N/A

ID: 252747

3-chloro-N-(3-chloro-4-cyanophenyl)propanamide

$$$$ Data

M. F.

C10H8Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-25848

Database	Data ID
PubChem	39869356

M. W.

243.08932

CAS

Similarity

N/A

ID: 252748

2-(3-chloropropanamido)-N-cyclopropylbenzamide

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-25850

Database	Data ID
PubChem	25323416

M. W.

266.7234

CAS

Similarity

N/A

ID: 252749

3-chloro-N-(1-cyclopentyl-1H-pyrazol-5-yl)propanamide

$$$$ Data

M. F.

C11H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-25851

Database	Data ID
PubChem	25323417

M. W.

241.71724

CAS

Similarity

N/A

ID: 252750

3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

$$$$ Data

M. F.

C13H15ClN2OS

Suppliers	Catalog Number
Enamine	EN300-25852

Database	Data ID
PubChem	3438182

M. W.

282.789

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