N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-fluorobenzamide
Formula:C15H11N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C15H11N2O2F3 |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C15H11F3N2O2/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 | DUJYWFYCBGYVCK-UHFFFAOYSA-N |
| TotalMolweight | 308.258 |
| Molweight | 308.258 |
| MonoisotopicMass | 308.077262 |
| CLogP | 3.4718 |
| CLogS | -4.657 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.54 |
| Relative PSA | 0.20132 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.5305 |
| 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 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-fluorobenzamide
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