N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
Formula:C16H14N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide |
| MolecularFormula | C16H14N3O2F3 |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H14F3N3O2/c17-12-3-5-13(6-4-12)20-10-15(23)22-21-9-11-1-7-14(8-2-11)24-16(18)19/h1-9,16,20H,10H2,(H,22,23) |
| InChIK | HNQILEVJXXMMEQ-UHFFFAOYSA-N |
| TotalMolweight | 337.3 |
| Molweight | 337.3 |
| MonoisotopicMass | 337.103811 |
| CLogP | 2.7637 |
| CLogS | -4.479 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.76 |
| Relative PSA | 0.22647 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 2.1182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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