N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C23H17N3O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H17N3O3ClF3 |
| Smiles | O=C(COc(ccc(/C=N\NC(c1cc(C(F)(F)F)ccc1)=O)c1)c1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C23H17ClF3N3O3/c24-19-11-15(9-10-20(19)33-14-21(31)29-18-7-2-1-3-8-18)13-28-30-22(32)16-5-4-6-17(12-16)23(25,26)27/h1-13H,14H2,(H,29,31)(H,30,32) |
| InChIK | AVJZXHFCYXVUMP-UHFFFAOYSA-N |
| TotalMolweight | 475.853 |
| Molweight | 475.853 |
| MonoisotopicMass | 475.091053 |
| CLogP | 5.3783 |
| CLogS | -6.527 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 344.6 |
| Relative PSA | 0.20461 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -2.4893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-(trifluoromethyl)benzamide
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