(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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide

C190H238Cl8F12N22O16 — CID 167653955

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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.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](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.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](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.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/2C25H31ClF3N3O2.2C24H30ClF2N3O2.2C23H28ClFN2O2.2C23H30ClN3O2/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(26,27)24(8-9-24)20(16-6-10-28-11-7-16)14-22(32)29-15-18(30(2)3)12-17-4-5-19(31)13-21(17)25;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;2*1-27(2)20(12-18-5-6-21(28)14-22(18)24)15-26-23(29)13-19(11-16-3-4-16)17-7-9-25-10-8-17/h2*5-8,11,14,18-19H,9-10,12-13,15H2,1-4H3,(H,31,33);2*4-7,10-11,13,18,20,31H,8-9,12,14-15H2,1-3H3,(H,29,32);2*3-7,10-11,16,18-19,28H,8-9,12-14H2,1-2H3,(H,26,29);2*5-10,14,16,19-20,28H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,19+;18-,19-;18-,20+;18-,20-;18-,19+;18-,19-;19-,20+;19-,20-/m00000010/s1
InChIKeyQZAYWZAWYBROMS-SGJSWBHESA-N
MW3597.73 g/mol
LogP36.16
Rot. Bonds80

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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide (PubChem CID 167653955) has the molecular formula C190H238Cl8F12N22O16 and a molecular weight of 3597.73 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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide
PubChem CID167653955
Molecular FormulaC190H238Cl8F12N22O16
Molecular Weight3597.73 g/mol
Exact Mass3591.58
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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.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](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.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](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.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/2C25H31ClF3N3O2.2C24H30ClF2N3O2.2C23H28ClFN2O2.2C23H30ClN3O2/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(26,27)24(8-9-24)20(16-6-10-28-11-7-16)14-22(32)29-15-18(30(2)3)12-17-4-5-19(31)13-21(17)25;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;2*1-27(2)20(12-18-5-6-21(28)14-22(18)24)15-26-23(29)13-19(11-16-3-4-16)17-7-9-25-10-8-17/h2*5-8,11,14,18-19H,9-10,12-13,15H2,1-4H3,(H,31,33);2*4-7,10-11,13,18,20,31H,8-9,12,14-15H2,1-3H3,(H,29,32);2*3-7,10-11,16,18-19,28H,8-9,12-14H2,1-2H3,(H,26,29);2*5-10,14,16,19-20,28H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,19+;18-,19-;18-,20+;18-,20-;18-,19+;18-,19-;19-,20+;19-,20-/m00000010/s1
InChIKeyQZAYWZAWYBROMS-SGJSWBHESA-N
XLogP36.16
TPSA475.90 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds80
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003597.73
LogP ≤ 536.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide (CID 167653955) 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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide is CN(C)[C@H](CNC(=O)C[C@@H](CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.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](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.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](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide?
The InChIKey is QZAYWZAWYBROMS-SGJSWBHESA-N. The full InChI is InChI=1S/2C25H31ClF3N3O2.2C24H30ClF2N3O2.2C23H28ClFN2O2.2C23H30ClN3O2/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(26,27)24(8-9-24)20(16-6-10-28-11-7-16)14-22(32)29-15-18(30(2)3)12-17-4-5-19(31)13-21(17)25;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;2*1-27(2)20(12-18-5-6-21(28)14-22(18)24)15-26-23(29)13-19(11-16-3-4-16)17-7-9-25-10-8-17/h2*5-8,11,14,18-19H,9-10,12-13,15H2,1-4H3,(H,31,33);2*4-7,10-11,13,18,20,31H,8-9,12,14-15H2,1-3H3,(H,29,32);2*3-7,10-11,16,18-19,28H,8-9,12-14H2,1-2H3,(H,26,29);2*5-10,14,16,19-20,28H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,19+;18-,19-;18-,20+;18-,20-;18-,19+;18-,19-;19-,20+;19-,20-/m00000010/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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide has a molecular weight of 3597.73 g/mol, XLogP of 36.16, 80 rotatable bonds, 14 hydrogen bond donors, and 30 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-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;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-4-ylbutanamide;(3S)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 167653955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).