4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide

C171H211Cl2F19N28O14 — CID 167593090

IUPAC4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
SMILESCC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(C(N)=O)c(F)c1)N(C)C)c1cccnc1.CN(C)[C@H](CNC(=O)C[C@@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)ccc1Cl.Cc1cc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)ccc1Cl.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/2C26H31ClF3N3O2.2C24H30F3N5O2.2C24H29F3N4O2.C23H31FN4O2/c2*1-16-12-19(8-9-22(16)27)21(25(10-11-25)26(28,29)30)14-23(34)32-15-20(33(2)3)13-17-4-6-18(7-5-17)24(31)35;2*1-15-29-12-18(13-30-15)20(23(8-9-23)24(25,26)27)11-21(33)31-14-19(32(2)3)10-16-4-6-17(7-5-16)22(28)34;2*1-31(2)18(13-16-6-8-17(9-7-16)22(28)33)15-30-21(32)14-19(20-5-3-4-12-29-20)23(10-11-23)24(25,26)27;1-15(2)20(17-6-5-9-26-13-17)12-22(29)27-14-18(28(3)4)10-16-7-8-19(23(25)30)21(24)11-16/h2*4-9,12,20-21H,10-11,13-15H2,1-3H3,(H2,31,35)(H,32,34);2*4-7,12-13,19-20H,8-11,14H2,1-3H3,(H2,28,34)(H,31,33);2*3-9,12,18-19H,10-11,13-15H2,1-2H3,(H2,28,33)(H,30,32);5-9,11,13,15,18,20H,10,12,14H2,1-4H3,(H2,25,30)(H,27,29)/t20-,21+;20-,21-;19-,20+;19-,20-;18-,19+;18-,19-;18-,20-/m0000000/s1
InChIKeyIRGLHGFEVRNGBW-QIEUSMQISA-N
MW3314.62 g/mol
LogP24.99
Rot. Bonds70

About 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide

4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide (PubChem CID 167593090) has the molecular formula C171H211Cl2F19N28O14 and a molecular weight of 3314.62 g/mol. Its IUPAC name is 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
PubChem CID167593090
Molecular FormulaC171H211Cl2F19N28O14
Molecular Weight3314.62 g/mol
Exact Mass3311.57
IUPAC Name4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
SMILESCC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(C(N)=O)c(F)c1)N(C)C)c1cccnc1.CN(C)[C@H](CNC(=O)C[C@@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)ccc1Cl.Cc1cc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)ccc1Cl.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/2C26H31ClF3N3O2.2C24H30F3N5O2.2C24H29F3N4O2.C23H31FN4O2/c2*1-16-12-19(8-9-22(16)27)21(25(10-11-25)26(28,29)30)14-23(34)32-15-20(33(2)3)13-17-4-6-18(7-5-17)24(31)35;2*1-15-29-12-18(13-30-15)20(23(8-9-23)24(25,26)27)11-21(33)31-14-19(32(2)3)10-16-4-6-17(7-5-16)22(28)34;2*1-31(2)18(13-16-6-8-17(9-7-16)22(28)33)15-30-21(32)14-19(20-5-3-4-12-29-20)23(10-11-23)24(25,26)27;1-15(2)20(17-6-5-9-26-13-17)12-22(29)27-14-18(28(3)4)10-16-7-8-19(23(25)30)21(24)11-16/h2*4-9,12,20-21H,10-11,13-15H2,1-3H3,(H2,31,35)(H,32,34);2*4-7,12-13,19-20H,8-11,14H2,1-3H3,(H2,28,34)(H,31,33);2*3-9,12,18-19H,10-11,13-15H2,1-2H3,(H2,28,33)(H,30,32);5-9,11,13,15,18,20H,10,12,14H2,1-4H3,(H2,25,30)(H,27,29)/t20-,21+;20-,21-;19-,20+;19-,20-;18-,19+;18-,19-;18-,20-/m0000000/s1
InChIKeyIRGLHGFEVRNGBW-QIEUSMQISA-N
XLogP24.99
TPSA618.24 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds70
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003314.62
LogP ≤ 524.99
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]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

[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone;(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 87180376
N-[amino-[4-(2-chloro-3-pyridinyl)-5-fluoropyrimidin-2-yl]methyl]-3-[[3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]amino]-4-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 87220097
3-[[3-(6-aminopyrimidin-4-yl)-5-[2-[[3-(6-aminopyrimidin-4-yl)-2-pyridinyl]amino]-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridinyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 89337351
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrimidin-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 123893427
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 129078651
8-[4-[6-[2-[3-chloro-4-[1,7-diethyl-8-(3-fluoro-4-piperazin-1-ylanilino)-2-oxo-6H-pyrido[2,3-b]azepin-3-yl]phenyl]pyrimidin-4-yl]piperidin-3-yl]anilino]-3-(2-chloro-4-pyrimidin-2-ylphenyl)-1,7-diethyl-6H-pyrido[2,3-b]azepin-2-one
CID 145549527
[5-methyl-2-(6-methyl-3-pyridinyl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrimidin-5-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 145622390
N-[1-(aminomethylideneamino)-1-(5-bromopyrimidin-2-yl)iminopropan-2-yl]-3-chloro-N-(cyclopropylmethyl)-5-(trifluoromethyl)benzamide;N-[1-(aminomethylideneamino)-1-[(5-chloro-2-pyridinyl)imino]propan-2-yl]-3-chloro-N-(cyclopropylmethyl)-5-(trifluoromethyl)benzamide;N-[1-(aminomethylideneamino)-1-(5-fluoropyrimidin-2-yl)iminopropan-2-yl]-3-chloro-N-(cyclopropylmethyl)-5-(trifluoromethyl)benzamide;N-[1-(aminomethylideneamino)-1-pyrimidin-2-yliminopropan-2-yl]-3-chloro-N-(2,2-difluoroethyl)-5-(trifluoromethyl)benzamide
CID 157050270
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157273685
N-[5-(2-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(4-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide;N-[5-[5-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide
CID 157413403

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The IUPAC name of 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide (CID 167593090) is 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide.
What is the SMILES notation for 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The canonical SMILES for 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide is CC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(C(N)=O)c(F)c1)N(C)C)c1cccnc1.CN(C)[C@H](CNC(=O)C[C@@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)ccc1Cl.Cc1cc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)ccc1Cl.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2)N(C)C)C2(C(F)(F)F)CC2)cn1.
What is the InChIKey of 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The InChIKey is IRGLHGFEVRNGBW-QIEUSMQISA-N. The full InChI is InChI=1S/2C26H31ClF3N3O2.2C24H30F3N5O2.2C24H29F3N4O2.C23H31FN4O2/c2*1-16-12-19(8-9-22(16)27)21(25(10-11-25)26(28,29)30)14-23(34)32-15-20(33(2)3)13-17-4-6-18(7-5-17)24(31)35;2*1-15-29-12-18(13-30-15)20(23(8-9-23)24(25,26)27)11-21(33)31-14-19(32(2)3)10-16-4-6-17(7-5-16)22(28)34;2*1-31(2)18(13-16-6-8-17(9-7-16)22(28)33)15-30-21(32)14-19(20-5-3-4-12-29-20)23(10-11-23)24(25,26)27;1-15(2)20(17-6-5-9-26-13-17)12-22(29)27-14-18(28(3)4)10-16-7-8-19(23(25)30)21(24)11-16/h2*4-9,12,20-21H,10-11,13-15H2,1-3H3,(H2,31,35)(H,32,34);2*4-7,12-13,19-20H,8-11,14H2,1-3H3,(H2,28,34)(H,31,33);2*3-9,12,18-19H,10-11,13-15H2,1-2H3,(H2,28,33)(H,30,32);5-9,11,13,15,18,20H,10,12,14H2,1-4H3,(H2,25,30)(H,27,29)/t20-,21+;20-,21-;19-,20+;19-,20-;18-,19+;18-,19-;18-,20-/m0000000/s1.
What are the key properties of 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide has a molecular weight of 3314.62 g/mol, XLogP of 24.99, 70 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-[[(3R)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-3-[[(3S)-3-(4-chloro-3-methylphenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide is sourced from PubChem (CID 167593090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).