2-(4-fluoroanilino)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C16H13N3OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluoroanilino)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-fluoroanilino)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H13N3OF4 |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H13F4N3O/c17-13-5-7-14(8-6-13)21-10-15(24)23-22-9-11-1-3-12(4-2-11)16(18,19)20/h1-9,21H,10H2,(H,23,24) |
| InChIK | KCGZYDLGEZGXPF-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 | 0.70833 |
| 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 | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-fluoroanilino)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(4-fluoroanilino)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off