4-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
Formula:C15H11N2O2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H11N2O2ClF2 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C15H11ClF2N2O2/c16-12-5-3-11(4-6-12)14(21)20-19-9-10-1-7-13(8-2-10)22-15(17)18/h1-9,15H,(H,20,21) |
| InChIK | MJNCYXDLMQZMRX-UHFFFAOYSA-N |
| TotalMolweight | 324.713 |
| Molweight | 324.713 |
| MonoisotopicMass | 324.047711 |
| CLogP | 3.977 |
| CLogS | -5.079 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.61 |
| Relative PSA | 0.19364 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.5465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide | 2 - 4-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
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