C150H133F6N27O15S — CID 160625163
N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide (PubChem CID 160625163) has the molecular formula C150H133F6N27O15S and a molecular weight of 2699.94 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide.
| Compound Name | N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide |
|---|---|
| PubChem CID | 160625163 |
| Molecular Formula | C150H133F6N27O15S |
| Molecular Weight | 2699.94 g/mol |
| Exact Mass | 2698.01 |
| IUPAC Name | N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide |
| SMILES | C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc3nc(NCCN4CCOCC4)sc3c12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.COC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.Nc1ccccc1NC(=O)c1ccc(/N=C(/c2c(O)[nH]c3ccccc23)C2CC2)cc1 |
| InChI | InChI=1S/C30H31N7O3S.C25H22N4O2.C24H19F3N4O3.C24H19F3N4O2.C24H22N4O3.C23H20N4O2/c1-18(33-20-8-6-19(7-9-20)28(38)34-22-5-3-2-4-21(22)31)25-26-23(35-29(25)39)10-11-24-27(26)41-30(36-24)32-12-13-37-14-16-40-17-15-37;26-19-6-2-4-8-21(19)29-24(30)16-11-13-17(14-12-16)27-23(15-9-10-15)22-18-5-1-3-7-20(18)28-25(22)31;1-13(21-17-12-16(34-24(25,26)27)10-11-19(17)30-23(21)33)29-15-8-6-14(7-9-15)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(25,26)27)8-11-19(17)30-23(21)33)29-16-9-6-14(7-10-16)22(32)31-20-5-3-2-4-18(20)28;1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25;1-14(21-17-6-2-4-8-19(17)26-23(21)29)25-16-12-10-15(11-13-16)22(28)27-20-9-5-3-7-18(20)24/h2-11,35,39H,12-17,31H2,1H3,(H,32,36)(H,34,38);1-8,11-15,28,31H,9-10,26H2,(H,29,30);2-12,30,33H,28H2,1H3,(H,31,32);2-12,30,33H,28H2,1H3,(H,31,32);2-13,27,30H,14,25H2,1H3,(H,28,29);2-13,26,29H,24H2,1H3,(H,27,28)/b33-18+;27-23+;2*29-13+;26-21+;25-14+ |
| InChIKey | XMIVMWRDUWKCEG-NDMLEZFUSA-N |
| XLogP | 31.38 |
| TPSA | 676.85 Ų |
| H-Bond Donors | 25 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2699.94 |
| LogP ≤ 5 | 31.38 |
| H-Bond Donors ≤ 5 | 25 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|