N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C23H18N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H18N3O3F3 |
| Smiles | O=C(COc1ccc(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)cc1)Nc1ccccc1 |
| InChI | InChI=1S/C23H18F3N3O3/c24-23(25,26)18-6-4-5-17(13-18)22(31)29-27-14-16-9-11-20(12-10-16)32-15-21(30)28-19-7-2-1-3-8-19/h1-14H,15H2,(H,28,30)(H,29,31) |
| InChIK | TZQMOCQTMGDBIA-UHFFFAOYSA-N |
| TotalMolweight | 441.408 |
| Molweight | 441.408 |
| MonoisotopicMass | 441.130026 |
| CLogP | 4.7723 |
| CLogS | -5.791 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 329.18 |
| Relative PSA | 0.2142 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -2.522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
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