C157H142F6N18O23S3 — CID 160807538
2-fluoro-N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylbenzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(5-fluoro-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 160807538) has the molecular formula C157H142F6N18O23S3 and a molecular weight of 2859.15 g/mol. Its IUPAC name is 2-fluoro-N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylbenzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(5-fluoro-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
| Compound Name | 2-fluoro-N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylbenzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(5-fluoro-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 160807538 |
| Molecular Formula | C157H142F6N18O23S3 |
| Molecular Weight | 2859.15 g/mol |
| Exact Mass | 2856.96 |
| IUPAC Name | 2-fluoro-N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylbenzamide;N-[1-(5-fluoro-2-methoxyanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(5-fluoro-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide |
| SMILES | COc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.COc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1C.COc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1F.COc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ncc12.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ncc12)c1cccs1 |
| InChI | InChI=1S/C24H23FN2O4.C24H22N4O2.C23H20F2N2O4.C23H21FN2O4.C21H19FN2O4S.C21H19FN2O3S.C21H18N4O2S/c1-15-5-3-4-6-19(15)23(29)27-21(13-16-7-10-18(28)11-8-16)24(30)26-20-14-17(25)9-12-22(20)31-2;1-16-8-5-6-11-18(16)23(29)27-22(14-17-9-3-2-4-10-17)24(30)26-20-12-7-13-21-19(20)15-25-28-21;1-31-21-11-8-15(24)13-19(21)26-23(30)20(12-14-6-9-16(28)10-7-14)27-22(29)17-4-2-3-5-18(17)25;1-30-21-12-9-17(24)14-19(21)25-23(29)20(13-15-7-10-18(27)11-8-15)26-22(28)16-5-3-2-4-6-16;1-28-18-9-6-14(22)12-16(18)23-20(26)17(11-13-4-7-15(25)8-5-13)24-21(27)19-3-2-10-29-19;1-13-4-7-15(22)12-17(13)23-20(26)18(11-14-5-8-16(25)9-6-14)24-21(27)19-3-2-10-28-19;26-20(23-16-8-4-9-17-15(16)13-22-25-17)18(12-14-6-2-1-3-7-14)24-21(27)19-10-5-11-28-19/h3-12,14,21,28H,13H2,1-2H3,(H,26,30)(H,27,29);2-13,15,22H,14H2,1H3,(H,25,28)(H,26,30)(H,27,29);2-11,13,20,28H,12H2,1H3,(H,26,30)(H,27,29);2-12,14,20,27H,13H2,1H3,(H,25,29)(H,26,28);2-10,12,17,25H,11H2,1H3,(H,23,26)(H,24,27);2-10,12,18,25H,11H2,1H3,(H,23,26)(H,24,27);1-11,13,18H,12H2,(H,22,25)(H,23,26)(H,24,27) |
| InChIKey | SDWPVOKXTYQPTC-UHFFFAOYSA-N |
| XLogP | 25.92 |
| TPSA | 602.83 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.15 |
| LogP ≤ 5 | 25.92 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 28 |