C169H181F3N16O17 — CID 158168570
N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (PubChem CID 158168570) has the molecular formula C169H181F3N16O17 and a molecular weight of 2765.40 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.
| Compound Name | N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide |
|---|---|
| PubChem CID | 158168570 |
| Molecular Formula | C169H181F3N16O17 |
| Molecular Weight | 2765.40 g/mol |
| Exact Mass | 2763.37 |
| IUPAC Name | N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide |
| SMILES | CC(=O)N1CCN(c2ccccc2CC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.CC1CN(c2ccccc2CC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2)CC(C)O1.CC1CN(c2ccccc2CC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC(C)O1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCNCC1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cc(F)ccc1N1CCNCC1)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCNCC1)c1ccccc1 |
| InChI | InChI=1S/C29H31N3O3.C29H32N2O4.C29H32N2O3.C28H30FN3O2.C27H28FN3O3.C27H28FN3O2/c1-22(33)31-16-18-32(19-17-31)27-15-9-8-14-25(27)21-28(34)26(20-23-10-4-2-5-11-23)30-29(35)24-12-6-3-7-13-24;1-20-18-31(19-21(2)35-20)27-11-7-6-10-24(27)17-28(33)26(16-22-12-14-25(32)15-13-22)30-29(34)23-8-4-3-5-9-23;1-21-19-31(20-22(2)34-21)27-16-10-9-15-25(27)18-28(32)26(17-23-11-5-3-6-12-23)30-29(33)24-13-7-4-8-14-24;1-20-7-5-6-10-24(20)28(34)31-25(17-21-8-3-2-4-9-21)27(33)19-22-18-23(29)11-12-26(22)32-15-13-30-14-16-32;28-22-8-11-25(31-14-12-29-13-15-31)21(17-22)18-26(33)24(16-19-6-9-23(32)10-7-19)30-27(34)20-4-2-1-3-5-20;28-23-11-12-25(31-15-13-29-14-16-31)22(18-23)19-26(32)24(17-20-7-3-1-4-8-20)30-27(33)21-9-5-2-6-10-21/h2-15,26H,16-21H2,1H3,(H,30,35);3-15,20-21,26,32H,16-19H2,1-2H3,(H,30,34);3-16,21-22,26H,17-20H2,1-2H3,(H,30,33);2-12,18,25,30H,13-17,19H2,1H3,(H,31,34);1-11,17,24,29,32H,12-16,18H2,(H,30,34);1-12,18,24,29H,13-17,19H2,(H,30,33) |
| InChIKey | FXDQJNZWMSOCAC-UHFFFAOYSA-N |
| XLogP | 22.30 |
| TPSA | 411.78 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2765.40 |
| LogP ≤ 5 | 22.30 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 26 |