(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide

C141H180Cl6F8N20O12 — CID 167637485

IUPAC(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)C[C@H](CC1CC1)c1cccnc1)Cc1ccc(O)c(Cl)c1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)c(Cl)c2)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/C24H31ClF2N4O2.2C24H30ClF2N3O2.C23H29ClF2N4O2.2C23H30ClN3O2/c1-15-28-12-17(13-29-15)19(24(7-8-24)23(2,26)27)11-22(33)30-14-18(31(3)4)9-16-5-6-21(32)20(25)10-16;1-23(26,27)24(8-9-24)19(17-6-10-28-11-7-17)14-22(32)29-15-18(30(2)3)12-16-4-5-21(31)20(25)13-16;1-23(26,27)24(8-9-24)19(17-5-4-10-28-14-17)13-22(32)29-15-18(30(2)3)11-16-6-7-21(31)20(25)12-16;1-22(25,26)23(7-8-23)17(21-27-9-4-10-28-21)13-20(32)29-14-16(30(2)3)11-15-5-6-19(31)18(24)12-15;2*1-27(2)20(11-17-7-8-22(28)21(24)12-17)15-26-23(29)13-19(10-16-5-6-16)18-4-3-9-25-14-18/h5-6,10,12-13,18-19,32H,7-9,11,14H2,1-4H3,(H,30,33);4-7,10-11,13,18-19,31H,8-9,12,14-15H2,1-3H3,(H,29,32);4-7,10,12,14,18-19,31H,8-9,11,13,15H2,1-3H3,(H,29,32);4-6,9-10,12,16-17,31H,7-8,11,13-14H2,1-3H3,(H,29,32);2*3-4,7-9,12,14,16,19-20,28H,5-6,10-11,13,15H2,1-2H3,(H,26,29)/t18-,19+;2*18-,19?;16-,17?;19?,20-;19-,20-/m000000/s1
InChIKeyORILZRHKOSURDJ-IBPDPOEGSA-N
MW2711.82 g/mol
LogP25.66
Rot. Bonds60

About (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide

(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide (PubChem CID 167637485) has the molecular formula C141H180Cl6F8N20O12 and a molecular weight of 2711.82 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide
PubChem CID167637485
Molecular FormulaC141H180Cl6F8N20O12
Molecular Weight2711.82 g/mol
Exact Mass2707.21
IUPAC Name(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)C[C@H](CC1CC1)c1cccnc1)Cc1ccc(O)c(Cl)c1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)c(Cl)c2)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/C24H31ClF2N4O2.2C24H30ClF2N3O2.C23H29ClF2N4O2.2C23H30ClN3O2/c1-15-28-12-17(13-29-15)19(24(7-8-24)23(2,26)27)11-22(33)30-14-18(31(3)4)9-16-5-6-21(32)20(25)10-16;1-23(26,27)24(8-9-24)19(17-6-10-28-11-7-17)14-22(32)29-15-18(30(2)3)12-16-4-5-21(31)20(25)13-16;1-23(26,27)24(8-9-24)19(17-5-4-10-28-14-17)13-22(32)29-15-18(30(2)3)11-16-6-7-21(31)20(25)12-16;1-22(25,26)23(7-8-23)17(21-27-9-4-10-28-21)13-20(32)29-14-16(30(2)3)11-15-5-6-19(31)18(24)12-15;2*1-27(2)20(11-17-7-8-22(28)21(24)12-17)15-26-23(29)13-19(10-16-5-6-16)18-4-3-9-25-14-18/h5-6,10,12-13,18-19,32H,7-9,11,14H2,1-4H3,(H,30,33);4-7,10-11,13,18-19,31H,8-9,12,14-15H2,1-3H3,(H,29,32);4-7,10,12,14,18-19,31H,8-9,11,13,15H2,1-3H3,(H,29,32);4-6,9-10,12,16-17,31H,7-8,11,13-14H2,1-3H3,(H,29,32);2*3-4,7-9,12,14,16,19-20,28H,5-6,10-11,13,15H2,1-2H3,(H,26,29)/t18-,19+;2*18-,19?;16-,17?;19?,20-;19-,20-/m000000/s1
InChIKeyORILZRHKOSURDJ-IBPDPOEGSA-N
XLogP25.66
TPSA418.54 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds60
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002711.82
LogP ≤ 525.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide?
The IUPAC name of (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide (CID 167637485) is (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide is CN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)Cc1ccc(O)c(Cl)c1.CN(C)[C@H](CNC(=O)C[C@H](CC1CC1)c1cccnc1)Cc1ccc(O)c(Cl)c1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)c(Cl)c2)N(C)C)C2(C(C)(F)F)CC2)cn1.
What is the InChIKey of (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide?
The InChIKey is ORILZRHKOSURDJ-IBPDPOEGSA-N. The full InChI is InChI=1S/C24H31ClF2N4O2.2C24H30ClF2N3O2.C23H29ClF2N4O2.2C23H30ClN3O2/c1-15-28-12-17(13-29-15)19(24(7-8-24)23(2,26)27)11-22(33)30-14-18(31(3)4)9-16-5-6-21(32)20(25)10-16;1-23(26,27)24(8-9-24)19(17-6-10-28-11-7-17)14-22(32)29-15-18(30(2)3)12-16-4-5-21(31)20(25)13-16;1-23(26,27)24(8-9-24)19(17-5-4-10-28-14-17)13-22(32)29-15-18(30(2)3)11-16-6-7-21(31)20(25)12-16;1-22(25,26)23(7-8-23)17(21-27-9-4-10-28-21)13-20(32)29-14-16(30(2)3)11-15-5-6-19(31)18(24)12-15;2*1-27(2)20(11-17-7-8-22(28)21(24)12-17)15-26-23(29)13-19(10-16-5-6-16)18-4-3-9-25-14-18/h5-6,10,12-13,18-19,32H,7-9,11,14H2,1-4H3,(H,30,33);4-7,10-11,13,18-19,31H,8-9,12,14-15H2,1-3H3,(H,29,32);4-7,10,12,14,18-19,31H,8-9,11,13,15H2,1-3H3,(H,29,32);4-6,9-10,12,16-17,31H,7-8,11,13-14H2,1-3H3,(H,29,32);2*3-4,7-9,12,14,16,19-20,28H,5-6,10-11,13,15H2,1-2H3,(H,26,29)/t18-,19+;2*18-,19?;16-,17?;19?,20-;19-,20-/m000000/s1.
What are the key properties of (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide?
(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide has a molecular weight of 2711.82 g/mol, XLogP of 25.66, 60 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyridin-3-ylbutanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 167637485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).