C118H87Cl4F31N8O4 — CID 162203433
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane (PubChem CID 162203433) has the molecular formula C118H87Cl4F31N8O4 and a molecular weight of 2411.80 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane.
| Compound Name | N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane |
|---|---|
| PubChem CID | 162203433 |
| Molecular Formula | C118H87Cl4F31N8O4 |
| Molecular Weight | 2411.80 g/mol |
| Exact Mass | 2408.51 |
| IUPAC Name | N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane |
| SMILES | C.C.C.Cc1c(C(F)(F)F)cccc1[C@@](Cc1ccccc1)(NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cn1.Cc1ccc(C[C@@](NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1.Cc1ccc([C@](Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.O=C(N[C@](Cc1ccccc1F)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1 |
| InChI | InChI=1S/C29H19ClF8N2O.2C29H20ClF7N2O.C28H16ClF9N2O.3CH4/c1-16-2-4-17(5-3-16)14-27(25-9-7-21(30)15-39-25,19-11-20(28(33,34)35)13-22(31)12-19)40-26(41)18-6-8-24(32)23(10-18)29(36,37)38;1-17-21(8-5-9-22(17)28(32,33)34)27(15-18-6-3-2-4-7-18,25-13-11-20(30)16-38-25)39-26(40)19-10-12-24(31)23(14-19)29(35,36)37;1-17-7-9-20(14-22(17)28(32,33)34)27(15-18-5-3-2-4-6-18,25-12-10-21(30)16-38-25)39-26(40)19-8-11-24(31)23(13-19)29(35,36)37;29-19-6-8-24(39-14-19)26(13-16-3-1-2-4-22(16)31,17-10-18(27(33,34)35)12-20(30)11-17)40-25(41)15-5-7-23(32)21(9-15)28(36,37)38;;;/h2-13,15H,14H2,1H3,(H,40,41);2*2-14,16H,15H2,1H3,(H,39,40);1-12,14H,13H2,(H,40,41);3*1H4/t3*27-;26-;;;/m1101.../s1 |
| InChIKey | ZRWOIXPNWVQVGX-DHGYCTRNSA-N |
| XLogP | 34.56 |
| TPSA | 167.96 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 165 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2411.80 |
| LogP ≤ 5 | 34.56 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |