C61H75Cl6N15O7S — CID 173259275
N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine (PubChem CID 173259275) has the molecular formula C61H75Cl6N15O7S and a molecular weight of 1375.15 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine.
| Compound Name | N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine |
|---|---|
| PubChem CID | 173259275 |
| Molecular Formula | C61H75Cl6N15O7S |
| Molecular Weight | 1375.15 g/mol |
| Exact Mass | 1371.38 |
| IUPAC Name | N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine |
| SMILES | CN(C)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(N)c(Cl)c1.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1.Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1 |
| InChI | InChI=1S/C13H18ClN3O.C13H11ClN2O.C12H16ClN3O2.C10H14ClN3O.C7H9ClN2O2S.C6H7ClN2/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;13-10-7-9(14)1-2-11(10)15-12(17)8-16-3-5-18-6-4-16;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11;1-13(11,12)10-7-3-2-5(9)4-6(7)8;7-5-3-4(8)1-2-6(5)9/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);1-8H,15H2,(H,16,17);1-2,7H,3-6,8,14H2,(H,15,17);3-5H,6,12H2,1-2H3,(H,13,15);2-4,10H,9H2,1H3;1-3H,8-9H2 |
| InChIKey | JNMPWKJULSQEAN-UHFFFAOYSA-N |
| XLogP | 10.93 |
| TPSA | 363.66 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 90 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1375.15 |
| LogP ≤ 5 | 10.93 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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