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

C142H180Cl6F8N18O12 — CID 167597281

IUPAC(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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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)CC(CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.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](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl
InChIInChI=1S/4C24H30ClF2N3O2.2C23H30ClN3O2/c2*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*1-23(26,27)24(8-9-24)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)25;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*4-7,10-11,13,18,20,31H,8-9,12,14-15H2,1-3H3,(H,29,32);2*4-7,10,12,14,18,20,31H,8-9,11,13,15H2,1-3H3,(H,29,32);2*5-10,14,16,19-20,28H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,20+;18-,20-;18-,20+;18-,20-;19?,20-;19-,20-/m000000/s1
InChIKeyJGBXSMISKOWRRE-GJYSKVILSA-N
MW2695.82 g/mol
LogP26.56
Rot. Bonds60

About (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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 167597281) has the molecular formula C142H180Cl6F8N18O12 and a molecular weight of 2695.82 g/mol. Its IUPAC name is (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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 CID167597281
Molecular FormulaC142H180Cl6F8N18O12
Molecular Weight2695.82 g/mol
Exact Mass2691.20
IUPAC Name(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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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)CC(CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.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](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl
InChIInChI=1S/4C24H30ClF2N3O2.2C23H30ClN3O2/c2*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*1-23(26,27)24(8-9-24)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)25;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*4-7,10-11,13,18,20,31H,8-9,12,14-15H2,1-3H3,(H,29,32);2*4-7,10,12,14,18,20,31H,8-9,11,13,15H2,1-3H3,(H,29,32);2*5-10,14,16,19-20,28H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,20+;18-,20-;18-,20+;18-,20-;19?,20-;19-,20-/m000000/s1
InChIKeyJGBXSMISKOWRRE-GJYSKVILSA-N
XLogP26.56
TPSA392.76 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds60
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002695.82
LogP ≤ 526.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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 167597281) is (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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)CC(CC1CC1)c1ccncc1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.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](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1Cl.
What is the InChIKey of (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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 JGBXSMISKOWRRE-GJYSKVILSA-N. The full InChI is InChI=1S/4C24H30ClF2N3O2.2C23H30ClN3O2/c2*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*1-23(26,27)24(8-9-24)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)25;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*4-7,10-11,13,18,20,31H,8-9,12,14-15H2,1-3H3,(H,29,32);2*4-7,10,12,14,18,20,31H,8-9,11,13,15H2,1-3H3,(H,29,32);2*5-10,14,16,19-20,28H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,20+;18-,20-;18-,20+;18-,20-;19?,20-;19-,20-/m000000/s1.
What are the key properties of (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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-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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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 2695.82 g/mol, XLogP of 26.56, 60 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(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 167597281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).