N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C23H20N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C23H20N3O2F3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H20F3N3O2/c24-23(25,26)19-9-5-10-20(13-19)27-15-22(30)29-28-14-18-8-4-11-21(12-18)31-16-17-6-2-1-3-7-17/h1-14,27H,15-16H2,(H,29,30) |
| InChIK | NBXAQBBBUIISLQ-UHFFFAOYSA-N |
| TotalMolweight | 427.425 |
| Molweight | 427.425 |
| MonoisotopicMass | 427.150761 |
| CLogP | 4.6899 |
| CLogS | -5.662 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 325.19 |
| Relative PSA | 0.17673 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | -2.524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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