C132H151Cl4F6N17O10 — CID 158069795
4-(5-chloro-2-methylphenyl)-N-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;1-[(2-chlorophenyl)methyl]-N-(cyclopropylmethyl)-N-(4-methylphenyl)pyrrolidine-3-carboxamide;N-(cyclopropylmethyl)-4-(3,5-dichloro-2-pyridinyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-N-(4-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 158069795) has the molecular formula C132H151Cl4F6N17O10 and a molecular weight of 2391.57 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;1-[(2-chlorophenyl)methyl]-N-(cyclopropylmethyl)-N-(4-methylphenyl)pyrrolidine-3-carboxamide;N-(cyclopropylmethyl)-4-(3,5-dichloro-2-pyridinyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-N-(4-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-benzoxazole.
| Compound Name | 4-(5-chloro-2-methylphenyl)-N-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;1-[(2-chlorophenyl)methyl]-N-(cyclopropylmethyl)-N-(4-methylphenyl)pyrrolidine-3-carboxamide;N-(cyclopropylmethyl)-4-(3,5-dichloro-2-pyridinyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-N-(4-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-benzoxazole |
|---|---|
| PubChem CID | 158069795 |
| Molecular Formula | C132H151Cl4F6N17O10 |
| Molecular Weight | 2391.57 g/mol |
| Exact Mass | 2388.05 |
| IUPAC Name | 4-(5-chloro-2-methylphenyl)-N-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;1-[(2-chlorophenyl)methyl]-N-(cyclopropylmethyl)-N-(4-methylphenyl)pyrrolidine-3-carboxamide;N-(cyclopropylmethyl)-4-(3,5-dichloro-2-pyridinyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-N-(4-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-benzoxazole |
| SMILES | COc1ccc(N(CC2CC2)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1.COc1ccc(N(CC2CC2)C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.COc1ccccc1N1CCN(C(=O)N(CC2CC2)c2ccc(OC(F)(F)F)cc2)CC1.Cc1ccc(N(CC2CC2)C(=O)C2CCN(Cc3ccccc3C(F)(F)F)C2)cc1.Cc1ccc(N(CC2CC2)C(=O)C2CCN(Cc3ccccc3Cl)C2)cc1.Cc1ccccc1N1CCN(c2nc3ccccc3o2)CC1 |
| InChI | InChI=1S/C24H27F3N2O.C23H28ClN3O2.C23H27ClN2O.C23H26F3N3O3.C21H24Cl2N4O2.C18H19N3O/c1-17-6-10-21(11-7-17)29(14-18-8-9-18)23(30)20-12-13-28(16-20)15-19-4-2-3-5-22(19)24(25,26)27;1-17-3-6-19(24)15-22(17)25-11-13-26(14-12-25)23(28)27(16-18-4-5-18)20-7-9-21(29-2)10-8-20;1-17-6-10-21(11-7-17)26(14-18-8-9-18)23(27)20-12-13-25(16-20)15-19-4-2-3-5-22(19)24;1-31-21-5-3-2-4-20(21)27-12-14-28(15-13-27)22(30)29(16-17-6-7-17)18-8-10-19(11-9-18)32-23(24,25)26;1-29-18-6-4-17(5-7-18)27(14-15-2-3-15)21(28)26-10-8-25(9-11-26)20-19(23)12-16(22)13-24-20;1-14-6-2-4-8-16(14)20-10-12-21(13-11-20)18-19-15-7-3-5-9-17(15)22-18/h2-7,10-11,18,20H,8-9,12-16H2,1H3;3,6-10,15,18H,4-5,11-14,16H2,1-2H3;2-7,10-11,18,20H,8-9,12-16H2,1H3;2-5,8-11,17H,6-7,12-16H2,1H3;4-7,12-13,15H,2-3,8-11,14H2,1H3;2-9H,10-13H2,1H3 |
| InChIKey | FLRMRBSTJFJQFM-UHFFFAOYSA-N |
| XLogP | 27.78 |
| TPSA | 209.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.57 |
| LogP ≤ 5 | 27.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |