N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C16H14N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C16H14N3OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H14F3N3O/c17-16(18,19)13-7-4-8-14(9-13)20-11-15(23)22-21-10-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,22,23) |
| InChIK | NKJIEONQHXFFIP-UHFFFAOYSA-N |
| TotalMolweight | 321.301 |
| Molweight | 321.301 |
| MonoisotopicMass | 321.108896 |
| CLogP | 3.3418 |
| CLogS | -4.321 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 241.67 |
| Relative PSA | 0.19642 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.1599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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