N-benzyl-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
Formula:C18H16N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide |
| MolecularFormula | C18H16N3O2F3 |
| Smiles | O=C(CC(N/N=C/c1c(C(F)(F)F)cccc1)=O)NCc1ccccc1 |
| InChI | InChI=1S/C18H16F3N3O2/c19-18(20,21)15-9-5-4-8-14(15)12-23-24-17(26)10-16(25)22-11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,25)(H,24,26) |
| InChIK | VNAJQLBNJKVYGG-UHFFFAOYSA-N |
| TotalMolweight | 363.338 |
| Molweight | 363.338 |
| MonoisotopicMass | 363.119461 |
| CLogP | 3.156 |
| CLogS | -4.389 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.18 |
| Relative PSA | 0.2215 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -4.8059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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