4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide

C170H209F24N25O14S2 — CID 167702359

IUPAC4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
SMILESCC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc(C(N)=O)c(F)c1)N(C)C)c1cccnc1.CC(C)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](c1ccccc1F)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1F)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)s1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)s1.Cc1cnc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)nc1
InChIInChI=1S/2C25H28F5N3O2.C24H29F4N5O2.2C24H29F4N3O2S.2C24H33FN4O2/c2*1-33(2)16(11-15-7-8-18(23(31)35)21(27)12-15)14-32-22(34)13-19(17-5-3-4-6-20(17)26)24(9-10-24)25(28,29)30;1-14-11-31-22(32-12-14)18(23(6-7-23)24(26,27)28)10-20(34)30-13-16(33(2)3)8-15-4-5-17(21(29)35)19(25)9-15;2*1-14-4-7-20(34-14)18(23(8-9-23)24(26,27)28)12-21(32)30-13-16(31(2)3)10-15-5-6-17(22(29)33)19(25)11-15;2*1-16(2)10-19(18-6-5-9-27-14-18)13-23(30)28-15-20(29(3)4)11-17-7-8-21(24(26)31)22(25)12-17/h2*3-8,12,16,19H,9-11,13-14H2,1-2H3,(H2,31,35)(H,32,34);4-5,9,11-12,16,18H,6-8,10,13H2,1-3H3,(H2,29,35)(H,30,34);2*4-7,11,16,18H,8-10,12-13H2,1-3H3,(H2,29,33)(H,30,32);2*5-9,12,14,16,19-20H,10-11,13,15H2,1-4H3,(H2,26,31)(H,28,30)/t16-,19+;16-,19-;2*16-,18+;16-,18-;19-,20+;19-,20-/m0000010/s1
InChIKeyYOWRSMZIKOCGNV-PMHHMRPMSA-N
MW3346.79 g/mol
LogP26.52
Rot. Bonds72

About 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide

4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide (PubChem CID 167702359) has the molecular formula C170H209F24N25O14S2 and a molecular weight of 3346.79 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
PubChem CID167702359
Molecular FormulaC170H209F24N25O14S2
Molecular Weight3346.79 g/mol
Exact Mass3344.55
IUPAC Name4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
SMILESCC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc(C(N)=O)c(F)c1)N(C)C)c1cccnc1.CC(C)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](c1ccccc1F)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1F)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)s1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)s1.Cc1cnc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)nc1
InChIInChI=1S/2C25H28F5N3O2.C24H29F4N5O2.2C24H29F4N3O2S.2C24H33FN4O2/c2*1-33(2)16(11-15-7-8-18(23(31)35)21(27)12-15)14-32-22(34)13-19(17-5-3-4-6-20(17)26)24(9-10-24)25(28,29)30;1-14-11-31-22(32-12-14)18(23(6-7-23)24(26,27)28)10-20(34)30-13-16(33(2)3)8-15-4-5-17(21(29)35)19(25)9-15;2*1-14-4-7-20(34-14)18(23(8-9-23)24(26,27)28)12-21(32)30-13-16(31(2)3)10-15-5-6-17(22(29)33)19(25)11-15;2*1-16(2)10-19(18-6-5-9-27-14-18)13-23(30)28-15-20(29(3)4)11-17-7-8-21(24(26)31)22(25)12-17/h2*3-8,12,16,19H,9-11,13-14H2,1-2H3,(H2,31,35)(H,32,34);4-5,9,11-12,16,18H,6-8,10,13H2,1-3H3,(H2,29,35)(H,30,34);2*4-7,11,16,18H,8-10,12-13H2,1-3H3,(H2,29,33)(H,30,32);2*5-9,12,14,16,19-20H,10-11,13,15H2,1-4H3,(H2,26,31)(H,28,30)/t16-,19+;16-,19-;2*16-,18+;16-,18-;19-,20+;19-,20-/m0000010/s1
InChIKeyYOWRSMZIKOCGNV-PMHHMRPMSA-N
XLogP26.52
TPSA579.57 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds72
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003346.79
LogP ≤ 526.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide with MolForge

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Related Compounds

N-[3-[[4-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrimidin-2-yl]amino]-4-fluorophenyl]-5-[(5-thiophen-2-ylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
CID 129102727
1-[(2S)-3-[4-[5-(4-tert-butylcyclohexen-1-yl)pyrimidin-2-yl]phenyl]-2-[(5-tert-butylthiophene-2-carbonyl)amino]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-2-[(5-cyclopropylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-3-[4-[5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-2-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoyl]amino]propanoyl]azetidine-3-carboxylic acid
CID 157233122
1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-propan-2-ylcyclohexyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;bis(1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid)
CID 158562546
1-(cyclopropylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]propanamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]thiophene-2-carboxamide
CID 158611135
5-(2-aminopyrimidin-4-yl)-N-[(3-phenylphenyl)methyl]thiophene-2-carboxamide;5-(2-aminopyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 158997093
1-[(2S)-2-benzamido-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-2-[[5-(trifluoromethyl)thiophene-2-carbonyl]amino]propanoyl]azetidine-3-carboxylic acid
CID 159463522
1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-pentylcyclohexen-1-yl)pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-propylcyclohexen-1-yl)pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(trifluoromethyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid
CID 159660706
1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4,4-difluorocyclohexyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;bis(1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid)
CID 159834337
1-[(2S)-3-[4-[5-[4-(4-tert-butylcyclohexyl)phenyl]pyrimidin-2-yl]phenyl]-2-[(5-tert-butylthiophene-2-carbonyl)amino]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4,4-difluorocyclohexyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-propan-2-ylcyclohexyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid
CID 159941282
1-[(2S)-2-benzamido-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2R)-4-(5-cyclopropylthiophen-2-yl)-2-[[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]azetidine-3-carboxylic acid;1-[(2S)-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-2-[[5-(trifluoromethyl)thiophene-2-carbonyl]amino]propanoyl]azetidine-3-carboxylic acid
CID 160017611
1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4,4-difluorocyclohexyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-[4-(1,1-difluoroethyl)cyclohexyl]phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid;bis(1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-propan-2-ylcyclohexyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid)
CID 160397028
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 160817490

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide?
The IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide (CID 167702359) is 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide?
The canonical SMILES for 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide is CC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc(C(N)=O)c(F)c1)N(C)C)c1cccnc1.CC(C)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](c1ccccc1F)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1F)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)s1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)s1.Cc1cnc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)nc1.
What is the InChIKey of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide?
The InChIKey is YOWRSMZIKOCGNV-PMHHMRPMSA-N. The full InChI is InChI=1S/2C25H28F5N3O2.C24H29F4N5O2.2C24H29F4N3O2S.2C24H33FN4O2/c2*1-33(2)16(11-15-7-8-18(23(31)35)21(27)12-15)14-32-22(34)13-19(17-5-3-4-6-20(17)26)24(9-10-24)25(28,29)30;1-14-11-31-22(32-12-14)18(23(6-7-23)24(26,27)28)10-20(34)30-13-16(33(2)3)8-15-4-5-17(21(29)35)19(25)9-15;2*1-14-4-7-20(34-14)18(23(8-9-23)24(26,27)28)12-21(32)30-13-16(31(2)3)10-15-5-6-17(22(29)33)19(25)11-15;2*1-16(2)10-19(18-6-5-9-27-14-18)13-23(30)28-15-20(29(3)4)11-17-7-8-21(24(26)31)22(25)12-17/h2*3-8,12,16,19H,9-11,13-14H2,1-2H3,(H2,31,35)(H,32,34);4-5,9,11-12,16,18H,6-8,10,13H2,1-3H3,(H2,29,35)(H,30,34);2*4-7,11,16,18H,8-10,12-13H2,1-3H3,(H2,29,33)(H,30,32);2*5-9,12,14,16,19-20H,10-11,13,15H2,1-4H3,(H2,26,31)(H,28,30)/t16-,19+;16-,19-;2*16-,18+;16-,18-;19-,20+;19-,20-/m0000010/s1.
What are the key properties of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide?
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide has a molecular weight of 3346.79 g/mol, XLogP of 26.52, 72 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-3-ylhexanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide is sourced from PubChem (CID 167702359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).