C181H119Cl6F33N28O21 — CID 157055013
4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157055013) has the molecular formula C181H119Cl6F33N28O21 and a molecular weight of 3861.77 g/mol. Its IUPAC name is 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157055013 |
| Molecular Formula | C181H119Cl6F33N28O21 |
| Molecular Weight | 3861.77 g/mol |
| Exact Mass | 3856.67 |
| IUPAC Name | 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cn1.Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cn1.Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2ccncc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2ccncc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)c1 |
| InChI | InChI=1S/C19H13ClF3N3O3.2C19H12ClF3N2O2.C19H12F4N2O2.C18H13ClF3N3O2.C18H11ClF3N3O2.C18H13F4N3O2.C17H11ClF3N3O2.C17H11F4N3O2.C17H11F3N4O2/c1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;20-17-6-1-13(11-16(17)12-7-9-24-10-8-12)18(26)25-14-2-4-15(5-3-14)27-19(21,22)23;20-17-8-3-12(10-16(17)13-2-1-9-24-11-13)18(26)25-14-4-6-15(7-5-14)27-19(21,22)23;20-17-6-1-13(11-16(17)12-7-9-24-10-8-12)18(26)25-14-2-4-15(5-3-14)27-19(21,22)23;1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;2*18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21;18-17(19,20)26-15-3-1-14(2-4-15)24-16(25)12-5-11(6-21-7-12)13-8-22-10-23-9-13/h2-10H,1H3,(H,26,27);3*1-11H,(H,25,26);2-10H,1H3,(H,24,26);1-10H,(H,25,26);2-10H,1H3,(H,24,26);2*1-9H,(H,22,24)(H,23,25);1-10H,(H,24,25) |
| InChIKey | AAQNLIYBYQEYNH-UHFFFAOYSA-N |
| XLogP | 48.25 |
| TPSA | 614.43 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 269 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3861.77 |
| LogP ≤ 5 | 48.25 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 37 |