C142H129F5N10O18S2 — CID 158854595
2-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 158854595) has the molecular formula C142H129F5N10O18S2 and a molecular weight of 2422.77 g/mol. Its IUPAC name is 2-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide.
| Compound Name | 2-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 158854595 |
| Molecular Formula | C142H129F5N10O18S2 |
| Molecular Weight | 2422.77 g/mol |
| Exact Mass | 2420.88 |
| IUPAC Name | 2-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide |
| SMILES | COc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.COc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1F.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1C.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccs1 |
| InChI | InChI=1S/C25H24FNO3.C25H23N3O2.C24H21F2NO4.C24H22FNO4.C22H20FNO3S.C22H19N3O2S/c1-16-7-10-20(26)14-19(16)15-24(29)23(13-18-8-11-21(28)12-9-18)27-25(30)22-6-4-3-5-17(22)2;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;1-31-23-11-8-17(25)13-16(23)14-22(29)21(12-15-6-9-18(28)10-7-15)27-24(30)19-4-2-3-5-20(19)26;1-30-23-12-9-19(25)14-18(23)15-22(28)21(13-16-7-10-20(27)11-8-16)26-24(29)17-5-3-2-4-6-17;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;26-20(13-16-8-4-9-18-17(16)14-23-25-18)19(12-15-6-2-1-3-7-15)24-22(27)21-10-5-11-28-21/h3-12,14,23,28H,13,15H2,1-2H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);2-11,13,21,28H,12,14H2,1H3,(H,27,30);2-12,14,21,27H,13,15H2,1H3,(H,26,29);2-10,12,19,25H,11,13H2,1H3,(H,24,27);1-11,14,19H,12-13H2,(H,23,25)(H,24,27) |
| InChIKey | IZWQCAOBZIWWKK-UHFFFAOYSA-N |
| XLogP | 23.68 |
| TPSA | 433.76 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2422.77 |
| LogP ≤ 5 | 23.68 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 22 |