N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide

C172H165BrCl7N35O9 — CID 159005295

IUPACN-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CC1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1.CC[C@H]1CCCN1C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Br)cc3)n2)cc1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CNC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCN1CCCCC1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCn1cccc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C25H28ClN5O.C24H22ClN5O.2C23H23ClN4O.C21H20ClN5O2.C19H17BrN4O.C19H17ClN4O.C18H15ClN4O/c26-21-9-5-19(6-10-21)23-13-15-28-25(30-23)29-22-11-7-20(8-12-22)24(32)27-14-4-18-31-16-2-1-3-17-31;25-20-8-4-18(5-9-20)22-12-14-27-24(29-22)28-21-10-6-19(7-11-21)23(31)26-13-3-17-30-15-1-2-16-30;1-16-11-14-28(15-12-16)22(29)18-4-8-20(9-5-18)26-23-25-13-10-21(27-23)17-2-6-19(24)7-3-17;1-2-20-4-3-15-28(20)22(29)17-7-11-19(12-8-17)26-23-25-14-13-21(27-23)16-5-9-18(24)10-6-16;1-14(28)23-12-13-24-20(29)16-4-8-18(9-5-16)26-21-25-11-10-19(27-21)15-2-6-17(22)7-3-15;2*1-24(2)18(25)14-5-9-16(10-6-14)22-19-21-12-11-17(23-19)13-3-7-15(20)8-4-13;1-20-17(24)13-4-8-15(9-5-13)22-18-21-11-10-16(23-18)12-2-6-14(19)7-3-12/h5-13,15H,1-4,14,16-18H2,(H,27,32)(H,28,29,30);1-2,4-12,14-16H,3,13,17H2,(H,26,31)(H,27,28,29);2-10,13,16H,11-12,14-15H2,1H3,(H,25,26,27);5-14,20H,2-4,15H2,1H3,(H,25,26,27);2-11H,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27);2*3-12H,1-2H3,(H,21,22,23);2-11H,1H3,(H,20,24)(H,21,22,23)/t;;;20-;;;;/m...0..../s1
InChIKeyJRVOQWVPHPAENC-GTVJULNKSA-N
MW3194.52 g/mol
LogP37.18
Rot. Bonds44

About N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide

N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide (PubChem CID 159005295) has the molecular formula C172H165BrCl7N35O9 and a molecular weight of 3194.52 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide
PubChem CID159005295
Molecular FormulaC172H165BrCl7N35O9
Molecular Weight3194.52 g/mol
Exact Mass3188.05
IUPAC NameN-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CC1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1.CC[C@H]1CCCN1C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Br)cc3)n2)cc1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CNC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCN1CCCCC1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCn1cccc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C25H28ClN5O.C24H22ClN5O.2C23H23ClN4O.C21H20ClN5O2.C19H17BrN4O.C19H17ClN4O.C18H15ClN4O/c26-21-9-5-19(6-10-21)23-13-15-28-25(30-23)29-22-11-7-20(8-12-22)24(32)27-14-4-18-31-16-2-1-3-17-31;25-20-8-4-18(5-9-20)22-12-14-27-24(29-22)28-21-10-6-19(7-11-21)23(31)26-13-3-17-30-15-1-2-16-30;1-16-11-14-28(15-12-16)22(29)18-4-8-20(9-5-18)26-23-25-13-10-21(27-23)17-2-6-19(24)7-3-17;1-2-20-4-3-15-28(20)22(29)17-7-11-19(12-8-17)26-23-25-14-13-21(27-23)16-5-9-18(24)10-6-16;1-14(28)23-12-13-24-20(29)16-4-8-18(9-5-16)26-21-25-11-10-19(27-21)15-2-6-17(22)7-3-15;2*1-24(2)18(25)14-5-9-16(10-6-14)22-19-21-12-11-17(23-19)13-3-7-15(20)8-4-13;1-20-17(24)13-4-8-15(9-5-13)22-18-21-11-10-16(23-18)12-2-6-14(19)7-3-12/h5-13,15H,1-4,14,16-18H2,(H,27,32)(H,28,29,30);1-2,4-12,14-16H,3,13,17H2,(H,26,31)(H,27,28,29);2-10,13,16H,11-12,14-15H2,1H3,(H,25,26,27);5-14,20H,2-4,15H2,1H3,(H,25,26,27);2-11H,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27);2*3-12H,1-2H3,(H,21,22,23);2-11H,1H3,(H,20,24)(H,21,22,23)/t;;;20-;;;;/m...0..../s1
InChIKeyJRVOQWVPHPAENC-GTVJULNKSA-N
XLogP37.18
TPSA537.39 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003194.52
LogP ≤ 537.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
CID 123738111
(E)-N-[6-[(3R)-3-[[5-bromo-4-[5-[[[(E)-4-[[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]-3-pyridinyl]amino]-4-oxobut-2-enyl]-methylamino]methyl]-1H-indol-3-yl]pyrimidin-2-yl]amino]piperidine-1-carbonyl]-3-pyridinyl]-4-(dimethylamino)but-2-enamide
CID 156564416
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 157137943
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 157322136
1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]ethanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(4-hydroxybutyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;methane
CID 157772542
4-amino-N-[(1S,3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]benzamide;(E)-4-bromobut-2-enoyl chloride;N-[(1S,3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157843988
aniline;N-(2-anilino-3-pyridinyl)-4-bromobenzamide;4-bromobenzoyl chloride;2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;N,N-diethyl-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)aniline;N-ethylethanamine;hydron;3-nitro-N-phenylpyridin-2-amine
CID 157903363
1-[4-[[4-(4-Chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-one;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone;methane;hydrochloride
CID 158215942
(E)-N-[4-[3-[[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide;(E)-N-[4-[2-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 158228706
4-[[5-bromo-4-[[(1S,2S)-2-(cyclobutylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-bromo-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-chloro-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[5-methyl-4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide
CID 158252914
4-amino-N-[(1S,3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]benzamide;(E)-4-bromobut-2-enoyl chloride;N-[(1S,3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;methane
CID 158407946
acetyl chloride;(4-aminopiperidin-1-yl)-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]methanone;tert-butyl N-[1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]acetamide;methane;hydrochloride
CID 158549397

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide (CID 159005295) is N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide is CC(=O)NCCNC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CC1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1.CC[C@H]1CCCN1C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Br)cc3)n2)cc1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.CNC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCN1CCCCC1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCn1cccc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide?
The InChIKey is JRVOQWVPHPAENC-GTVJULNKSA-N. The full InChI is InChI=1S/C25H28ClN5O.C24H22ClN5O.2C23H23ClN4O.C21H20ClN5O2.C19H17BrN4O.C19H17ClN4O.C18H15ClN4O/c26-21-9-5-19(6-10-21)23-13-15-28-25(30-23)29-22-11-7-20(8-12-22)24(32)27-14-4-18-31-16-2-1-3-17-31;25-20-8-4-18(5-9-20)22-12-14-27-24(29-22)28-21-10-6-19(7-11-21)23(31)26-13-3-17-30-15-1-2-16-30;1-16-11-14-28(15-12-16)22(29)18-4-8-20(9-5-18)26-23-25-13-10-21(27-23)17-2-6-19(24)7-3-17;1-2-20-4-3-15-28(20)22(29)17-7-11-19(12-8-17)26-23-25-14-13-21(27-23)16-5-9-18(24)10-6-16;1-14(28)23-12-13-24-20(29)16-4-8-18(9-5-16)26-21-25-11-10-19(27-21)15-2-6-17(22)7-3-15;2*1-24(2)18(25)14-5-9-16(10-6-14)22-19-21-12-11-17(23-19)13-3-7-15(20)8-4-13;1-20-17(24)13-4-8-15(9-5-13)22-18-21-11-10-16(23-18)12-2-6-14(19)7-3-12/h5-13,15H,1-4,14,16-18H2,(H,27,32)(H,28,29,30);1-2,4-12,14-16H,3,13,17H2,(H,26,31)(H,27,28,29);2-10,13,16H,11-12,14-15H2,1H3,(H,25,26,27);5-14,20H,2-4,15H2,1H3,(H,25,26,27);2-11H,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27);2*3-12H,1-2H3,(H,21,22,23);2-11H,1H3,(H,20,24)(H,21,22,23)/t;;;20-;;;;/m...0..../s1.
What are the key properties of N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide?
N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide has a molecular weight of 3194.52 g/mol, XLogP of 37.18, 44 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;4-[[4-(4-bromophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-methylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[(2S)-2-ethylpyrrolidin-1-yl]methanone;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrol-1-ylpropyl)benzamide is sourced from PubChem (CID 159005295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).