N-[(Z)-[2-(4-methylphenoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C22H17N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(4-methylphenoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(4-methylphenoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C22H17N2O2F3 |
| Smiles | Cc(cc1)ccc1Oc1c(/C=N\NC(c2ccc(C(F)(F)F)cc2)=O)cccc1 |
| InChI | InChI=1S/C22H17F3N2O2/c1-15-6-12-19(13-7-15)29-20-5-3-2-4-17(20)14-26-27-21(28)16-8-10-18(11-9-16)22(23,24)25/h2-14H,1H3,(H,27,28) |
| InChIK | SECWQXFFEWGMKG-UHFFFAOYSA-N |
| TotalMolweight | 398.383 |
| Molweight | 398.383 |
| MonoisotopicMass | 398.124212 |
| CLogP | 5.7894 |
| CLogS | -7.14 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.47 |
| Relative PSA | 0.15415 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.9624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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