C90H63Cl2F20N9O20 — CID 162010751
N-(2-acetyl-5-chloro-4-pyridinyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide;N-(2-acetyl-4-pyridinyl)-4-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 162010751) has the molecular formula C90H63Cl2F20N9O20 and a molecular weight of 2041.40 g/mol. Its IUPAC name is N-(2-acetyl-5-chloro-4-pyridinyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide;N-(2-acetyl-4-pyridinyl)-4-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenoxy]benzamide.
| Compound Name | N-(2-acetyl-5-chloro-4-pyridinyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide;N-(2-acetyl-4-pyridinyl)-4-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenoxy]benzamide |
|---|---|
| PubChem CID | 162010751 |
| Molecular Formula | C90H63Cl2F20N9O20 |
| Molecular Weight | 2041.40 g/mol |
| Exact Mass | 2039.32 |
| IUPAC Name | N-(2-acetyl-5-chloro-4-pyridinyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide;N-(2-acetyl-4-pyridinyl)-4-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenoxy]benzamide |
| SMILES | CC(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2Oc2ccc(OC(F)(F)F)cc2)ccn1.COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1cc(C(C)=O)ncc1Cl.COc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc(C(C)=O)ncc1C.COc1cc(OC(F)(F)F)ccc1Oc1cncc(F)c1C(=O)Nc1cc(C(C)=O)ncc1C |
| InChI | InChI=1S/C23H14ClF7N2O5.C23H18ClF3N2O5.C22H14F6N2O5.C22H17F4N3O5/c1-10(34)14-8-15(13(24)9-32-14)33-21(35)19-17(6-4-12(20(19)25)22(26,27)28)37-16-5-3-11(7-18(16)36-2)38-23(29,30)31;1-12-11-28-18(13(2)30)10-17(12)29-22(31)16-8-14(24)4-6-19(16)33-20-7-5-15(9-21(20)32-3)34-23(25,26)27;1-12(31)18-10-13(8-9-29-18)30-20(32)17-7-6-16(35-22(26,27)28)11-19(17)33-14-2-4-15(5-3-14)34-21(23,24)25;1-11-8-28-16(12(2)30)7-15(11)29-21(31)20-14(23)9-27-10-19(20)33-17-5-4-13(6-18(17)32-3)34-22(24,25)26/h3-9H,1-2H3,(H,32,33,35);4-11H,1-3H3,(H,28,29,31);2-11H,1H3,(H,29,30,32);4-10H,1-3H3,(H,28,29,31) |
| InChIKey | YTLBFBZHPRYTIH-UHFFFAOYSA-N |
| XLogP | 24.45 |
| TPSA | 359.89 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 141 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2041.40 |
| LogP ≤ 5 | 24.45 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |