| MolName | N'-(2,3-dichlorophenyl)-N-[(4-methylphenyl)methyl]oxamide |
| MolecularFormula | C16H14N2O2Cl2 |
| Smiles | Cc1ccc(CNC(C(Nc2cccc(Cl)c2Cl)=O)=O)cc1 |
| InChI | InChI=1S/C16H14Cl2N2O2/c1-10-5-7-11(8-6-10)9-19-15(21)16(22)20-13-4-2-3-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22) |
| InChIK | VIGSVSWWWYCFKE-UHFFFAOYSA-N |
| TotalMolweight | 337.205 |
| Molweight | 337.205 |
| MonoisotopicMass | 336.043232 |
| CLogP | 3.0147 |
| CLogS | -4.564 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 248.3 |
| Relative PSA | 0.19734 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 0.4451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | limit! oxal-diamide |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N'-(2,3-dichlorophenyl)-N-[(4-methylphenyl)methyl]oxamide | 2 - N'-(2,3-dichlorophenyl)-N-[(4-methylphenyl)methyl]oxamide