C151H127F25N26O24 — CID 163547226
bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163547226) has the molecular formula C151H127F25N26O24 and a molecular weight of 3164.78 g/mol. Its IUPAC name is bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
| Compound Name | bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide |
|---|---|
| PubChem CID | 163547226 |
| Molecular Formula | C151H127F25N26O24 |
| Molecular Weight | 3164.78 g/mol |
| Exact Mass | 3162.91 |
| IUPAC Name | bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide |
| SMILES | CCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.CCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.COc1ccc(C)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F |
| InChI | InChI=1S/C20H18F3N3O3.C19H15F4N3O3.2C19H17F3N4O3.2C19H16F3N3O3.2C18H14F3N3O3/c1-12-7-8-17(28-2)15(9-12)16-10-13(25-26-16)11-24-19(27)14-5-3-4-6-18(14)29-20(21,22)23;1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23;2*1-2-28-14-9-5-3-7-12(14)17-24-16(25-26-17)11-23-18(27)13-8-4-6-10-15(13)29-19(20,21)22;2*1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22;2*19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26);2-9H,10H2,1H3,(H,24,27)(H,25,26);2*3-10H,2,11H2,1H3,(H,23,27)(H,24,25,26);2*2-9,26H,10H2,1H3,(H,23,27)(H,24,25);2*1-9,25H,10H2,(H,22,26)(H,23,24) |
| InChIKey | FGBLRLYUYQFQQP-UHFFFAOYSA-N |
| XLogP | 30.73 |
| TPSA | 679.70 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 226 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3164.78 |
| LogP ≤ 5 | 30.73 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 34 |