C160H163F6N17O8 — CID 163913021
N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163913021) has the molecular formula C160H163F6N17O8 and a molecular weight of 2566.16 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide.
| Compound Name | N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide |
|---|---|
| PubChem CID | 163913021 |
| Molecular Formula | C160H163F6N17O8 |
| Molecular Weight | 2566.16 g/mol |
| Exact Mass | 2564.28 |
| IUPAC Name | N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide;N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;N-[(1R)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;4-(3-methyl-1H-isoindol-5-yl)-N-[(1R)-1-(3-methylphenyl)butyl]pyridine-2-carboxamide;5-(3-methyl-1H-isoindol-5-yl)-N-[(1S)-1-(3-methylphenyl)butyl]-2-(trifluoromethoxy)benzamide |
| SMILES | CC1=NCc2ccc(-c3ccc(OC(F)(F)F)c(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@@H](CN(C)C)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3cccc(C(=O)N[C@H](CN(C)C)c4cccc(C)c4)c3)cc21.CCC[C@@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccc1OC(F)(F)F)c1cccc(C)c1.CCC[C@H](NC(=O)c1cc(-c2ccc3c(c2)C(C)=NC3)ccn1)c1cccc(C)c1 |
| InChI | InChI=1S/C28H27F3N2O2.2C27H29N3O.C26H24F3N3O2.2C26H27N3O/c1-4-6-25(21-8-5-7-17(2)13-21)33-27(34)24-15-20(11-12-26(24)35-28(29,30)31)19-9-10-22-16-32-18(3)23(22)14-19;2*1-18-7-5-9-22(13-18)26(17-30(3)4)29-27(31)23-10-6-8-20(14-23)21-11-12-24-16-28-19(2)25(24)15-21;1-15-4-3-5-19(10-15)23(13-30)32-25(33)22-12-18(8-9-24(22)34-26(27,28)29)17-6-7-20-14-31-16(2)21(20)11-17;2*1-4-6-24(21-8-5-7-17(2)13-21)29-26(30)25-15-20(11-12-27-25)19-9-10-22-16-28-18(3)23(22)14-19/h5,7-15,25H,4,6,16H2,1-3H3,(H,33,34);2*5-15,26H,16-17H2,1-4H3,(H,29,31);3-12,23H,13-14,30H2,1-2H3,(H,32,33);2*5,7-15,24H,4,6,16H2,1-3H3,(H,29,30)/t25-;2*26-;23-;2*24-/m010110/s1 |
| InChIKey | QTVHXHBETCWTAJ-BOPUHGKSSA-N |
| XLogP | 33.80 |
| TPSA | 325.50 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2566.16 |
| LogP ≤ 5 | 33.80 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 19 |