C113H114F15N13O15 — CID 167642999
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide (PubChem CID 167642999) has the molecular formula C113H114F15N13O15 and a molecular weight of 2179.20 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide.
| Compound Name | N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide |
|---|---|
| PubChem CID | 167642999 |
| Molecular Formula | C113H114F15N13O15 |
| Molecular Weight | 2179.20 g/mol |
| Exact Mass | 2177.83 |
| IUPAC Name | N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide |
| SMILES | Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=N1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CN=CC1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn(C)cn1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ncc[nH]1 |
| InChI | InChI=1S/C23H24F3N3O3.2C23H23F3N2O3.2C22H22F3N3O3/c1-16-5-3-4-6-17(16)11-29(22(31)21-13-28(2)15-27-21)12-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-16-5-2-3-6-17(16)13-28(22(30)21-7-4-12-27-21)14-19(29)15-31-20-10-8-18(9-11-20)23(24,25)26;1-16-4-2-3-5-18(16)13-28(22(30)17-10-11-27-12-17)14-20(29)15-31-21-8-6-19(7-9-21)23(24,25)26;1-15-4-2-3-5-16(15)12-28(21(30)17-10-26-27-11-17)13-19(29)14-31-20-8-6-18(7-9-20)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-26-10-11-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25/h3-10,13,15,19,30H,11-12,14H2,1-2H3;2-3,5-12,19,29H,4,13-15H2,1H3;2-9,11-12,20,29H,10,13-15H2,1H3;2-11,19,29H,12-14H2,1H3,(H,26,27);2-11,18,29H,12-14H2,1H3,(H,26,27) |
| InChIKey | PKZOTWWRFQTAFJ-UHFFFAOYSA-N |
| XLogP | 19.75 |
| TPSA | 348.75 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2179.20 |
| LogP ≤ 5 | 19.75 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |