C155H145Br11Cl2N16O12 — CID 172988507
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]-3-naphthalen-1-ylpropanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]propanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(2-methylphenyl)propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(4-methylphenyl)propanamide;N-[(E)-1-(3,5-dibromo-4-methylphenyl)ethylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide (PubChem CID 172988507) has the molecular formula C155H145Br11Cl2N16O12 and a molecular weight of 3373.81 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]-3-naphthalen-1-ylpropanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]propanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(2-methylphenyl)propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(4-methylphenyl)propanamide;N-[(E)-1-(3,5-dibromo-4-methylphenyl)ethylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide.
| Compound Name | N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]-3-naphthalen-1-ylpropanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]propanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(2-methylphenyl)propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(4-methylphenyl)propanamide;N-[(E)-1-(3,5-dibromo-4-methylphenyl)ethylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide |
|---|---|
| PubChem CID | 172988507 |
| Molecular Formula | C155H145Br11Cl2N16O12 |
| Molecular Weight | 3373.81 g/mol |
| Exact Mass | 3360.16 |
| IUPAC Name | N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]-3-naphthalen-1-ylpropanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]propanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(2-methylphenyl)propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(4-methylphenyl)propanamide;N-[(E)-1-(3,5-dibromo-4-methylphenyl)ethylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide |
| SMILES | C/C(=N\NC(=O)CCc1ccc2ccccc2c1)c1cc(Br)c(C)c(Br)c1.Cc1c(Br)cc(/C=N/NC(=O)CCc2ccc(Cl)cc2)c(O)c1Br.Cc1c(Br)cc(/C=N/NC(=O)CCc2ccc(Cl)cc2)cc1Br.Cc1ccc(/C=N/NC(=O)CCc2ccc3ccccc3c2)c(O)c1.Cc1ccc(/C=N/NC(=O)CCc2ccc3ccccc3c2)cc1.Cc1ccc(/C=N/NC(=O)CCc2cccc3ccccc23)cc1Br.Cc1ccc(CCC(=O)N/N=C/c2cc(Br)c(C)c(Br)c2O)cc1.Cc1ccccc1CCC(=O)N/N=C/c1cc(Br)c(C)c(Br)c1O |
| InChI | InChI=1S/C22H20Br2N2O.C21H19BrN2O.C21H20N2O2.C21H20N2O.2C18H18Br2N2O2.C17H15Br2ClN2O2.C17H15Br2ClN2O/c1-14-20(23)12-19(13-21(14)24)15(2)25-26-22(27)10-8-16-7-9-17-5-3-4-6-18(17)11-16;1-15-9-10-16(13-20(15)22)14-23-24-21(25)12-11-18-7-4-6-17-5-2-3-8-19(17)18;1-15-6-9-19(20(24)12-15)14-22-23-21(25)11-8-16-7-10-17-4-2-3-5-18(17)13-16;1-16-6-8-18(9-7-16)15-22-23-21(24)13-11-17-10-12-19-4-2-3-5-20(19)14-17;1-11-3-5-13(6-4-11)7-8-16(23)22-21-10-14-9-15(19)12(2)17(20)18(14)24;1-11-5-3-4-6-13(11)7-8-16(23)22-21-10-14-9-15(19)12(2)17(20)18(14)24;1-10-14(18)8-12(17(24)16(10)19)9-21-22-15(23)7-4-11-2-5-13(20)6-3-11;1-11-15(18)8-13(9-16(11)19)10-21-22-17(23)7-4-12-2-5-14(20)6-3-12/h3-7,9,11-13H,8,10H2,1-2H3,(H,26,27);2-10,13-14H,11-12H2,1H3,(H,24,25);2-7,9-10,12-14,24H,8,11H2,1H3,(H,23,25);2-10,12,14-15H,11,13H2,1H3,(H,23,24);2*3-6,9-10,24H,7-8H2,1-2H3,(H,22,23);2-3,5-6,8-9,24H,4,7H2,1H3,(H,22,23);2-3,5-6,8-10H,4,7H2,1H3,(H,22,23)/b25-15+;23-14+;22-14+;22-15+;2*21-10+;21-9+;21-10+ |
| InChIKey | YAGRLVIEDRGTRT-IBQSBHADSA-N |
| XLogP | 38.76 |
| TPSA | 412.60 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3373.81 |
| LogP ≤ 5 | 38.76 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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