(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one

C150H106Cl5F36N7O7 — CID 157165887

About (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one

(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one (PubChem CID 157165887) has the molecular formula C150H106Cl5F36N7O7 and a molecular weight of 2979.73 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one.

Molecular Properties

• Compound Name: (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
• PubChem CID: 157165887
• Molecular Formula: C150H106Cl5F36N7O7
• Molecular Weight: 2979.73 g/mol
• Exact Mass: 2975.60
• IUPAC Name: (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
• SMILES: CC(F)(F)COc1cc(F)cc(C(CC(=O)c2ccc(F)c(C(F)(F)F)c2)(Cc2ccccc2)c2ccc(Cl)cn2)c1.CC(F)(F)c1cc(C(=O)C[C@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc(C(F)(F)F)c2F)ccc1F.CC(F)(F)c1ccc(F)c(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1ccc(C(=O)N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.Cc1ccc(C(CC(=O)c2ccc(F)c(C(F)(F)F)c2)(Cc2ccccc2)c2ccc(Cl)cn2)cc1C(F)(F)F
• InChI: InChI=1S/C31H23ClF7NO2.C30H21ClF8N2O2.2C30H21ClF7NO.C29H20ClF7N2O/c1-29(35,36)18-42-24-13-21(12-23(33)14-24)30(15-19-5-3-2-4-6-19,28-10-8-22(32)17-40-28)16-27(41)20-7-9-26(34)25(11-20)31(37,38)39;1-17-7-8-19(11-24(17)29(35,36)37)26(42)41-28(15-18-5-3-2-4-6-18,25-10-9-21(31)16-40-25)20-12-22(32)14-23(13-20)43-30(38,39)27(33)34;1-28(34,35)23-14-19(10-12-24(23)32)25(40)16-29(15-18-6-3-2-4-7-18,26-13-11-20(31)17-39-26)21-8-5-9-22(27(21)33)30(36,37)38;1-18-7-9-21(14-23(18)29(33,34)35)28(15-19-5-3-2-4-6-19,27-12-10-22(31)17-39-27)16-26(40)20-8-11-25(32)24(13-20)30(36,37)38;1-27(33,34)19-8-11-23(31)21(14-19)28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-38-25)39-26(40)18-7-10-24(32)22(13-18)29(35,36)37/h2-14,17H,15-16,18H2,1H3;2-14,16,27H,15H2,1H3,(H,41,42);2*2-14,17H,15-16H2,1H3;2-14,16H,15H2,1H3,(H,39,40)/t;28-;29-;;/m.10../s1
• InChIKey: AMXDCHRXDWJCID-IDMKCAAUSA-N
• XLogP: 43.25
• TPSA: 192.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 41
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2979.73
LogP ≤ 5	43.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one?

The IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one (CID 157165887) is (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one.

What is the SMILES notation for (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one?

The canonical SMILES for (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one is CC(F)(F)COc1cc(F)cc(C(CC(=O)c2ccc(F)c(C(F)(F)F)c2)(Cc2ccccc2)c2ccc(Cl)cn2)c1.CC(F)(F)c1cc(C(=O)C[C@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc(C(F)(F)F)c2F)ccc1F.CC(F)(F)c1ccc(F)c(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1ccc(C(=O)N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.Cc1ccc(C(CC(=O)c2ccc(F)c(C(F)(F)F)c2)(Cc2ccccc2)c2ccc(Cl)cn2)cc1C(F)(F)F.

What is the InChIKey of (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one?

The InChIKey is AMXDCHRXDWJCID-IDMKCAAUSA-N. The full InChI is InChI=1S/C31H23ClF7NO2.C30H21ClF8N2O2.2C30H21ClF7NO.C29H20ClF7N2O/c1-29(35,36)18-42-24-13-21(12-23(33)14-24)30(15-19-5-3-2-4-6-19,28-10-8-22(32)17-40-28)16-27(41)20-7-9-26(34)25(11-20)31(37,38)39;1-17-7-8-19(11-24(17)29(35,36)37)26(42)41-28(15-18-5-3-2-4-6-18,25-10-9-21(31)16-40-25)20-12-22(32)14-23(13-20)43-30(38,39)27(33)34;1-28(34,35)23-14-19(10-12-24(23)32)25(40)16-29(15-18-6-3-2-4-7-18,26-13-11-20(31)17-39-26)21-8-5-9-22(27(21)33)30(36,37)38;1-18-7-9-21(14-23(18)29(33,34)35)28(15-19-5-3-2-4-6-19,27-12-10-22(31)17-39-27)16-26(40)20-8-11-25(32)24(13-20)30(36,37)38;1-27(33,34)19-8-11-23(31)21(14-19)28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-38-25)39-26(40)18-7-10-24(32)22(13-18)29(35,36)37/h2-14,17H,15-16,18H2,1H3;2-14,16,27H,15H2,1H3,(H,41,42);2*2-14,17H,15-16H2,1H3;2-14,16H,15H2,1H3,(H,39,40)/t;28-;29-;;/m.10../s1.

What are the key properties of (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one?

(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one has a molecular weight of 2979.73 g/mol, XLogP of 43.25, 41 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one is sourced from PubChem (CID 157165887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).