C108H118F8N10O16 — CID 162020735
2-fluoro-N-[3-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-methyl-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 162020735) has the molecular formula C108H118F8N10O16 and a molecular weight of 1964.17 g/mol. Its IUPAC name is 2-fluoro-N-[3-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-methyl-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-fluoro-N-[3-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-methyl-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 162020735 |
| Molecular Formula | C108H118F8N10O16 |
| Molecular Weight | 1964.17 g/mol |
| Exact Mass | 1962.86 |
| IUPAC Name | 2-fluoro-N-[3-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-methyl-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide |
| SMILES | COc1ccc(C(=O)CCCN2CCOCC2)c(NC(=O)c2ccccc2F)c1.Cc1ccccc1C(=O)Nc1ccccc1C(=O)CCCN1CCOCC1.O=C(Nc1cc(F)ccc1C(=O)CCCN1CCOCC1)c1ccccc1F.O=C(Nc1cccc(F)c1C(=O)CCCN1CCOCC1)c1ccccc1F.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C22H23F3N2O3.C22H25FN2O4.C22H26N2O3.2C21H22F2N2O3/c23-22(24,25)17-6-3-5-16(15-17)21(29)26-19-8-2-1-7-18(19)20(28)9-4-10-27-11-13-30-14-12-27;1-28-16-8-9-18(21(26)7-4-10-25-11-13-29-14-12-25)20(15-16)24-22(27)17-5-2-3-6-19(17)23;1-17-7-2-3-8-18(17)22(26)23-20-10-5-4-9-19(20)21(25)11-6-12-24-13-15-27-16-14-24;22-16-6-2-1-5-15(16)21(27)24-18-8-3-7-17(23)20(18)19(26)9-4-10-25-11-13-28-14-12-25;22-15-7-8-17(20(26)6-3-9-25-10-12-28-13-11-25)19(14-15)24-21(27)16-4-1-2-5-18(16)23/h1-3,5-8,15H,4,9-14H2,(H,26,29);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27);2-5,7-10H,6,11-16H2,1H3,(H,23,26);1-3,5-8H,4,9-14H2,(H,24,27);1-2,4-5,7-8,14H,3,6,9-13H2,(H,24,27) |
| InChIKey | YUSFJNWVXSPUHR-UHFFFAOYSA-N |
| XLogP | 18.20 |
| TPSA | 302.43 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 142 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1964.17 |
| LogP ≤ 5 | 18.20 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |