(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

C168H206Cl6F17N19O14 — CID 167711807

IUPAC(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1C(F)(F)F.COc1ccc(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1F.COc1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1F
InChIInChI=1S/2C25H31ClF3N3O2.2C24H29ClF3N3O2.C24H30F3N3O2.2C23H28ClFN2O2/c2*1-24(28,29)25(9-10-25)19(17-6-5-11-30-14-17)13-21(33)31-15-18(32(2)3)12-16-7-8-20(34-4)23(27)22(16)26;2*1-23(27,28)24(8-9-24)18(16-5-4-10-29-13-16)12-20(33)30-14-17(31(2)3)11-15-6-7-19(32)22(26)21(15)25;1-23(8-9-23)20(17-5-4-10-28-14-17)13-22(32)29-15-18(30(2)3)11-16-6-7-19(31)12-21(16)24(25,26)27;2*1-27(2)18(12-17-10-11-20(28)23(25)22(17)24)14-26-21(29)13-19(16-8-9-16)15-6-4-3-5-7-15/h2*5-8,11,14,18-19H,9-10,12-13,15H2,1-4H3,(H,31,33);2*4-7,10,13,17-18,32H,8-9,11-12,14H2,1-3H3,(H,30,33);4-7,10,12,14,18,20,31H,8-9,11,13,15H2,1-3H3,(H,29,32);2*3-7,10-11,16,18-19,28H,8-9,12-14H2,1-2H3,(H,26,29)/t18-,19+;18-,19-;17-,18+;17-,18-;18-,20+;18-,19+;18-,19-/m0000000/s1
InChIKeyZYIWLLBILRVDMF-RTYSXSRWSA-N
MW3251.30 g/mol
LogP32.80
Rot. Bonds69

About (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (PubChem CID 167711807) has the molecular formula C168H206Cl6F17N19O14 and a molecular weight of 3251.30 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
PubChem CID167711807
Molecular FormulaC168H206Cl6F17N19O14
Molecular Weight3251.30 g/mol
Exact Mass3246.39
IUPAC Name(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1C(F)(F)F.COc1ccc(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1F.COc1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1F
InChIInChI=1S/2C25H31ClF3N3O2.2C24H29ClF3N3O2.C24H30F3N3O2.2C23H28ClFN2O2/c2*1-24(28,29)25(9-10-25)19(17-6-5-11-30-14-17)13-21(33)31-15-18(32(2)3)12-16-7-8-20(34-4)23(27)22(16)26;2*1-23(27,28)24(8-9-24)18(16-5-4-10-29-13-16)12-20(33)30-14-17(31(2)3)11-15-6-7-19(32)22(26)21(15)25;1-23(8-9-23)20(17-5-4-10-28-14-17)13-22(32)29-15-18(30(2)3)11-16-6-7-19(31)12-21(16)24(25,26)27;2*1-27(2)18(12-17-10-11-20(28)23(25)22(17)24)14-26-21(29)13-19(16-8-9-16)15-6-4-3-5-7-15/h2*5-8,11,14,18-19H,9-10,12-13,15H2,1-4H3,(H,31,33);2*4-7,10,13,17-18,32H,8-9,11-12,14H2,1-3H3,(H,30,33);4-7,10,12,14,18,20,31H,8-9,11,13,15H2,1-3H3,(H,29,32);2*3-7,10-11,16,18-19,28H,8-9,12-14H2,1-2H3,(H,26,29)/t18-,19+;18-,19-;17-,18+;17-,18-;18-,20+;18-,19+;18-,19-/m0000000/s1
InChIKeyZYIWLLBILRVDMF-RTYSXSRWSA-N
XLogP32.80
TPSA410.44 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds69
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003251.30
LogP ≤ 532.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (CID 167711807) is (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1C(F)(F)F.COc1ccc(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1F.COc1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1F.
What is the InChIKey of (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The InChIKey is ZYIWLLBILRVDMF-RTYSXSRWSA-N. The full InChI is InChI=1S/2C25H31ClF3N3O2.2C24H29ClF3N3O2.C24H30F3N3O2.2C23H28ClFN2O2/c2*1-24(28,29)25(9-10-25)19(17-6-5-11-30-14-17)13-21(33)31-15-18(32(2)3)12-16-7-8-20(34-4)23(27)22(16)26;2*1-23(27,28)24(8-9-24)18(16-5-4-10-29-13-16)12-20(33)30-14-17(31(2)3)11-15-6-7-19(32)22(26)21(15)25;1-23(8-9-23)20(17-5-4-10-28-14-17)13-22(32)29-15-18(30(2)3)11-16-6-7-19(31)12-21(16)24(25,26)27;2*1-27(2)18(12-17-10-11-20(28)23(25)22(17)24)14-26-21(29)13-19(16-8-9-16)15-6-4-3-5-7-15/h2*5-8,11,14,18-19H,9-10,12-13,15H2,1-4H3,(H,31,33);2*4-7,10,13,17-18,32H,8-9,11-12,14H2,1-3H3,(H,30,33);4-7,10,12,14,18,20,31H,8-9,11,13,15H2,1-3H3,(H,29,32);2*3-7,10-11,16,18-19,28H,8-9,12-14H2,1-2H3,(H,26,29)/t18-,19+;18-,19-;17-,18+;17-,18-;18-,20+;18-,19+;18-,19-/m0000000/s1.
What are the key properties of (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide has a molecular weight of 3251.30 g/mol, XLogP of 32.80, 69 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-methoxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167711807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).