2-(4-fluoroanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C16H13N3OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluoroanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-fluoroanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H13N3OF4 |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H13F4N3O/c17-12-5-7-13(8-6-12)21-10-15(24)23-22-9-11-3-1-2-4-14(11)16(18,19)20/h1-9,21H,10H2,(H,23,24) |
| InChIK | INRDJIACJSTPKM-UHFFFAOYSA-N |
| TotalMolweight | 339.291 |
| Molweight | 339.291 |
| MonoisotopicMass | 339.099474 |
| CLogP | 3.4426 |
| CLogS | -4.635 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 248.02 |
| Relative PSA | 0.1914 |
| 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 | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - 2-(4-fluoroanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(4-fluoroanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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