Chembase list of 866358 unique molecular structures

1-{[4-(trifluoromethyl)phenyl]methyl}piperazine dihydrochloride

$$$$ Data

M. F.

C12H17Cl2F3N2

Suppliers	Catalog Number
Enamine	EN300-21807

Database	Data ID
PubChem	16265347

M. W.

317.1779896

CAS

107890-32-4

Similarity

N/A

ID: 251352

6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C13H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-21808

Database	Data ID
PubChem	7064100

M. W.

266.35922

CAS

Similarity

N/A

ID: 251353

2-(chloromethyl)-3-(4-fluorophenyl)-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C15H10ClFN2O

Suppliers	Catalog Number
Enamine	EN300-21809

Database	Data ID
PubChem	7131724

M. W.

288.7041032

CAS

Similarity

N/A

ID: 251354

4-{[5-(ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}butanoic acid

$$$$ Data

M. F.

C16H18N2O4S

Suppliers	Catalog Number
Enamine	EN300-21811

Database	Data ID
PubChem	7131727

M. W.

334.39012

CAS

Similarity

N/A

ID: 251355

N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide hydrochloride

$$$$ Data

M. F.

C11H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-21812

Database	Data ID
PubChem	16336504

M. W.

242.702

CAS

91180-98-2

Similarity

N/A

ID: 251356

5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C12H14N2O3

Suppliers	Catalog Number
Enamine	EN300-21814

Database	Data ID
PubChem	612934

M. W.

234.25116

CAS

68524-15-2

Similarity

N/A

ID: 251357

5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C10H8Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-21815

Database	Data ID
PubChem	3009655

M. W.

259.08872

CAS

Similarity

N/A

ID: 251358

2-chloro-1-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]ethan-1-one

$$$$ Data

M. F.

C13H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-21816

Database	Data ID
PubChem	7064103

M. W.

248.70812

CAS

Similarity

N/A

ID: 251359

3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-21817

Database	Data ID
PubChem	7131733

M. W.

216.23588

CAS

100142-73-2

Similarity

N/A

ID: 251360

3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine dihydrochlo...

$$$$ Data

M. F.

C12H15Cl2F3N4

Suppliers	Catalog Number
Enamine	EN300-21821

Database	Data ID
PubChem	16265105

M. W.

343.1755096

CAS

Similarity

N/A

ID: 251361

[(1Z)-chloro(phenylimino)methyl]dimethylamine

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-21824

Database	Data ID
PubChem	7131738

M. W.

182.65004

CAS

7684-30-2

Similarity

N/A

ID: 251362

3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N4

Suppliers	Catalog Number
Enamine	EN300-21825

Database	Data ID
PubChem	16265012

M. W.

275.17754

CAS

Similarity

N/A

ID: 251363

[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanamine dihydrochloride

$$$$ Data

M. F.

C11H14Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-21826

Database	Data ID
PubChem	16265011

M. W.

277.21326

CAS

Similarity

N/A

ID: 251364

4-(5-bromothiophen-2-yl)butanoic acid

$$$$ Data

M. F.

C8H9BrO2S

Suppliers	Catalog Number
Enamine	EN300-21827

Database	Data ID
PubChem	7131746

M. W.

249.12486

CAS

89980-93-8

Similarity

N/A

ID: 251365

9H-fluorene-3-carboxylic acid

$$$$ Data

M. F.

C14H10O2

Suppliers	Catalog Number
Enamine	EN300-21828

Database	Data ID
PubChem	7131748

M. W.

210.228

CAS

92151-76-3

Similarity

N/A

ID: 251366

5-bromo-1,3-diazinane-2,4-dione

$$$$ Data

M. F.

C4H5BrN2O2

Suppliers	Catalog Number
Enamine	EN300-21829

Database	Data ID
PubChem	97819

M. W.

192.9987

CAS

1193-76-6

Similarity

N/A

ID: 251367

1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride

$$$$ Data

M. F.

C12H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-21831

Database	Data ID
PubChem	16269770

M. W.

253.72794

CAS

20662-53-7

Similarity

N/A

ID: 251368

5-(4-bromophenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C10H9BrN2O2

Suppliers	Catalog Number
Enamine	EN300-21832

Database	Data ID
PubChem	233110

M. W.

269.09466

CAS

6320-50-9

Similarity

N/A

ID: 251369

4-[(2-chlorophenyl)amino]quinazoline-2-thiol

$$$$ Data

M. F.

C14H10ClN3S

Suppliers	Catalog Number
Enamine	EN300-21833

Database	Data ID
PubChem	7131749

M. W.

287.7673

CAS

Similarity

N/A

ID: 251370

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

$$$$ Data

M. F.

C16H12N2O3

Suppliers	Catalog Number
Enamine	EN300-21834

Database	Data ID
PubChem	7131751

M. W.

280.27808

CAS

Similarity

N/A

ID: 251371

2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]butanoic acid

$$$$ Data

M. F.

C11H11ClN4O2

Suppliers	Catalog Number
Enamine	EN300-21835

Database	Data ID
PubChem	4713627

M. W.

266.68364

CAS

Similarity

N/A

ID: 251372

N-phenylpiperazine-1-carboxamide hydrochloride

$$$$ Data

M. F.

C11H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-21837

Database	Data ID
PubChem	16265344

M. W.

241.71724

CAS

Similarity

N/A

ID: 251373

3-(3-cyclopropyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid

$$$$ Data

M. F.

C14H14N2O3

Suppliers	Catalog Number
Enamine	EN300-21838

Database	Data ID
PubChem	7131753

M. W.

258.27256

CAS

Similarity

N/A

ID: 251374

3-methanesulfonamidonaphthalene-2-carboxylic acid

$$$$ Data

M. F.

C12H11NO4S

Suppliers	Catalog Number
Enamine	EN300-21839

Database	Data ID
PubChem	7063906

M. W.

265.28504

CAS

Similarity

N/A

ID: 251375

[2-(3,5-dimethylphenoxy)ethyl](methyl)amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
ChemBridge	9071978
Enamine	EN300-21841

Database	Data ID
PubChem	7131755

M. W.

179.25878

CAS

875159-76-5

Similarity

N/A

ID: 251376

methyl[2-(2-methylphenoxy)ethyl]amine

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-21843

Database	Data ID
PubChem	6485440

M. W.

165.2322

CAS

Similarity

N/A

ID: 251377

[2-(2-chlorophenoxy)ethyl](methyl)amine

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Enamine	EN300-21844

Database	Data ID
PubChem	144410

M. W.

185.65068

CAS

70289-29-1

Similarity

N/A

ID: 251378

methyl[2-(3-methylphenoxy)ethyl]amine

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-21846

Database	Data ID
PubChem	7131762

M. W.

165.2322

CAS

Similarity

N/A

ID: 251379

2-chloro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide

$$$$ Data

M. F.

C14H16ClF3N2O

Suppliers	Catalog Number
Enamine	EN300-21849

Database	Data ID
PubChem	7064104

M. W.

320.7378496

CAS

Similarity

N/A

ID: 251380

ethyl 4-carbamoyl-5-(2-chloroacetamido)-2-methylfuran-3-carboxylate

$$$$ Data

M. F.

C11H13ClN2O5

Suppliers	Catalog Number
Enamine	EN300-21850

Database	Data ID
PubChem	7131767

M. W.

288.68432

CAS

Similarity

N/A

ID: 251381

methyl 3-amino-3-phenylpropanoate hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-21852

Database	Data ID
PubChem	2834577

M. W.

215.67666

CAS

88831-43-0

Similarity

N/A

ID: 251382

2-chloro-N-{[4-(morpholin-4-ylmethyl)phenyl]methyl}acetamide

$$$$ Data

M. F.

C14H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-21853

Database	Data ID
PubChem	7131769

M. W.

282.76586

CAS

Similarity

N/A

ID: 251383

2-chloro-N-({4-[(dimethylamino)methyl]phenyl}methyl)acetamide hydrochloride

$$$$ Data

M. F.

C12H18Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-21854

Database	Data ID
PubChem	16266959

M. W.

277.19012

CAS

Similarity

N/A

ID: 251384

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

$$$$ Data

M. F.

C9H14ClNO

Suppliers	Catalog Number
Enamine	EN300-21857

Database	Data ID
PubChem	7131772

M. W.

187.66656

CAS

Similarity

N/A

ID: 251385

2-chloro-N-ethyl-N-{[(thiophen-2-ylmethyl)carbamoyl]methyl}acetamide

$$$$ Data

M. F.

C11H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-21858

Database	Data ID
PubChem	7131773

M. W.

274.767

CAS

Similarity

N/A

ID: 251386

N-(butan-2-yl)-N-butyl-2-chloroacetamide

$$$$ Data

M. F.

C10H20ClNO

Suppliers	Catalog Number
Enamine	EN300-21859

Database	Data ID
PubChem	16226854

M. W.

205.7249

CAS

Similarity

N/A

ID: 251387

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

$$$$ Data

M. F.

C13H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-21860

Database	Data ID
PubChem	7131776

M. W.

253.72464

CAS

Similarity

N/A

ID: 251388

4-tert-butyl-N'-(2-chloroacetyl)benzohydrazide

$$$$ Data

M. F.

C13H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-21861

Database	Data ID
PubChem	7131777

M. W.

268.73928

CAS

Similarity

N/A

ID: 251389

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

$$$$ Data

M. F.

C12H13ClFNO

Suppliers	Catalog Number
Enamine	EN300-21862

Database	Data ID
PubChem	7131778

M. W.

241.6891232

CAS

Similarity

N/A

ID: 251390

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

$$$$ Data

M. F.

C11H13Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-21863

Database	Data ID
PubChem	7131779

M. W.

262.13242

CAS

Similarity

N/A

ID: 251391

2-chloro-N-(propan-2-yl)-N-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)acetami...

$$$$ Data

M. F.

C14H16ClF3N2O2

Suppliers	Catalog Number
Enamine	EN300-21864

Database	Data ID
PubChem	7131780

M. W.

336.7372496

CAS

Similarity

N/A

ID: 251392

3-(4-oxo-4-phenylbutanamido)propanoic acid

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
Enamine	EN300-21865

Database	Data ID
PubChem	7131782

M. W.

249.2625

CAS

Similarity

N/A

ID: 251393

N-benzyl-2-chloro-N-(1-cyclopropylethyl)acetamide

$$$$ Data

M. F.

C14H18ClNO

Suppliers	Catalog Number
Enamine	EN300-21867

Database	Data ID
PubChem	16226855

M. W.

251.75182

CAS

Similarity

N/A

ID: 251394

2-chloro-N-(5-methylhexan-2-yl)acetamide

$$$$ Data

M. F.

C9H18ClNO

Suppliers	Catalog Number
Enamine	EN300-21868

Database	Data ID
PubChem	16226856

M. W.

191.69832

CAS

Similarity

N/A

ID: 251395

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide

$$$$ Data

M. F.

C12H14ClNO3

Suppliers	Catalog Number
Enamine	EN300-21869

Database	Data ID
PubChem	7131787

M. W.

255.69746

CAS

Similarity

N/A

ID: 251396

1-(5-bromofuran-2-yl)ethan-1-one

$$$$ Data

M. F.

C6H5BrO2

Suppliers	Catalog Number
Enamine	EN300-21885
A&J Pharmtech	AJA-O31477

Database	Data ID
PubChem	11030585

M. W.

189.0067

CAS

3199-50-6

Similarity

N/A

ID: 251397

4-fluorobenzoyl isothiocyanate

$$$$ Data

M. F.

C8H4FNOS

Suppliers	Catalog Number
Enamine	EN300-21908

Database	Data ID
PubChem	249089

M. W.

181.1868632

CAS

Similarity

N/A

ID: 251398

2-bromo-1-(4-fluorophenyl)propan-1-one

$$$$ Data

M. F.

C9H8BrFO

Suppliers	Catalog Number
Enamine	EN300-21952

Database	Data ID
PubChem	13051652

M. W.

231.0616232

CAS

Similarity

N/A

ID: 251399

2-bromo-1-phenylbutan-1-one

$$$$ Data

M. F.

C10H11BrO

Suppliers	Catalog Number
Enamine	EN300-21953

Database	Data ID
PubChem	52696

M. W.

227.09774

CAS

877-35-0

Similarity

N/A

ID: 251400

6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide

$$$$ Data

M. F.

C7H7N3S2

Suppliers	Catalog Number
Enamine	EN300-21994

Database	Data ID
PubChem	16790119

M. W.

197.28058

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