N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(cyclopropanecarbonylamino)benzamide
Formula:C18H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(cyclopropanecarbonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(cyclopropanecarbonylamino)benzamide |
| MolecularFormula | C18H16N3O2Cl |
| Smiles | O=C(C1CC1)Nc(cccc1)c1C(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H16ClN3O2/c19-14-9-5-12(6-10-14)11-20-22-18(24)15-3-1-2-4-16(15)21-17(23)13-7-8-13/h1-6,9-11,13H,7-8H2,(H,21,23)(H,22,24) |
| InChIK | XTRDBOLOXWWUHW-UHFFFAOYSA-N |
| TotalMolweight | 341.797 |
| Molweight | 341.797 |
| MonoisotopicMass | 341.093104 |
| CLogP | 3.8294 |
| CLogS | -5.315 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.14 |
| Relative PSA | 0.23441 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.4558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(cyclopropanecarbonylamino)benzamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(cyclopropanecarbonylamino)benzamide
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