N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
Formula:C16H13N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide |
| MolecularFormula | C16H13N4OF |
| Smiles | N#Cc1ccc(/C=N\NC(CNc(cccc2)c2F)=O)cc1 |
| InChI | InChI=1S/C16H13FN4O/c17-14-3-1-2-4-15(14)19-11-16(22)21-20-10-13-7-5-12(9-18)6-8-13/h1-8,10,19H,11H2,(H,21,22) |
| InChIK | NZXFXQOBBIUEKT-UHFFFAOYSA-N |
| TotalMolweight | 296.304 |
| Molweight | 296.304 |
| MonoisotopicMass | 296.107339 |
| CLogP | 2.4299 |
| CLogS | -4.63 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.27 |
| Relative PSA | 0.25401 |
| PolarSurfaceArea | 77.28 |
| Druglikeness | -0.58994 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
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