C185H157BrClF13N18O27S — CID 158369256
N-[1-(1,3-benzodioxol-4-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-bromobenzamide;2-chloro-N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-[5-fluoro-2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;2-fluoro-N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-fluoro-N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 158369256) has the molecular formula C185H157BrClF13N18O27S and a molecular weight of 3458.79 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-4-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-bromobenzamide;2-chloro-N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-[5-fluoro-2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;2-fluoro-N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-fluoro-N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
| Compound Name | N-[1-(1,3-benzodioxol-4-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-bromobenzamide;2-chloro-N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-[5-fluoro-2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;2-fluoro-N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-fluoro-N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide |
|---|---|
| PubChem CID | 158369256 |
| Molecular Formula | C185H157BrClF13N18O27S |
| Molecular Weight | 3458.79 g/mol |
| Exact Mass | 3454.99 |
| IUPAC Name | N-[1-(1,3-benzodioxol-4-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-bromobenzamide;2-chloro-N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;N-[1-[5-fluoro-2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide;2-fluoro-N-[1-(1H-indazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-fluoro-N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide |
| SMILES | COc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2F)c1C.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1cc(F)ccc1OCF.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F.O=C(NC(Cc1ccc(O)cc1)C(=O)Nc1cccc2c1OCO2)c1ccccc1Br.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ncc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OC(F)(F)O2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OC(F)(F)O2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1ccccc1Cl |
| InChI | InChI=1S/2C24H22F2N2O3.C24H23FN2O3.C23H19BrN2O5.C23H19ClF2N2O3.C23H17F3N2O4.C23H19FN4O2.C21H16F2N2O4S/c1-16-9-5-6-12-18(16)22(29)28-20(15-17-10-3-2-4-11-17)23(30)27-19-13-7-8-14-21(19)31-24(25)26;1-16-7-5-6-10-19(16)23(29)28-21(13-17-8-3-2-4-9-17)24(30)27-20-14-18(26)11-12-22(20)31-15-25;1-16-20(13-8-14-22(16)30-2)26-24(29)21(15-17-9-4-3-5-10-17)27-23(28)18-11-6-7-12-19(18)25;24-17-5-2-1-4-16(17)22(28)26-19(12-14-8-10-15(27)11-9-14)23(29)25-18-6-3-7-20-21(18)31-13-30-20;24-17-11-5-4-10-16(17)21(29)28-19(14-15-8-2-1-3-9-15)22(30)27-18-12-6-7-13-20(18)31-23(25)26;24-16-10-5-4-9-15(16)21(29)28-18(13-14-7-2-1-3-8-14)22(30)27-17-11-6-12-19-20(17)32-23(25,26)31-19;24-18-10-5-4-9-16(18)22(29)27-21(13-15-7-2-1-3-8-15)23(30)26-19-11-6-12-20-17(19)14-25-28-20;22-21(23)28-16-9-4-8-14(18(16)29-21)24-19(26)15(12-13-6-2-1-3-7-13)25-20(27)17-10-5-11-30-17/h2-14,20,24H,15H2,1H3,(H,27,30)(H,28,29);2-12,14,21H,13,15H2,1H3,(H,27,30)(H,28,29);3-14,21H,15H2,1-2H3,(H,26,29)(H,27,28);1-11,19,27H,12-13H2,(H,25,29)(H,26,28);1-13,19,23H,14H2,(H,27,30)(H,28,29);1-12,18H,13H2,(H,27,30)(H,28,29);1-12,14,21H,13H2,(H,25,28)(H,26,30)(H,27,29);1-11,15H,12H2,(H,24,26)(H,25,27) |
| InChIKey | GUKIVJRXOSSNGA-UHFFFAOYSA-N |
| XLogP | 33.76 |
| TPSA | 606.81 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 246 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3458.79 |
| LogP ≤ 5 | 33.76 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 29 |