N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C20H16N3OF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C20H16N3OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H16F3N3O/c21-20(22,23)16-8-4-9-17(11-16)24-13-19(27)26-25-12-15-7-3-6-14-5-1-2-10-18(14)15/h1-12,24H,13H2,(H,26,27) |
| InChIK | CGAUJJGVLRKXTM-UHFFFAOYSA-N |
| TotalMolweight | 371.361 |
| Molweight | 371.361 |
| MonoisotopicMass | 371.124546 |
| CLogP | 4.5362 |
| CLogS | -5.927 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 276.27 |
| Relative PSA | 0.17182 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.1599 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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