N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C22H18N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C22H18N3O2F3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H18F3N3O2/c23-22(24,25)17-7-5-8-18(13-17)26-15-21(29)28-27-14-16-6-4-11-20(12-16)30-19-9-2-1-3-10-19/h1-14,26H,15H2,(H,28,29) |
| InChIK | YYQZLKVYEONSAM-UHFFFAOYSA-N |
| TotalMolweight | 413.398 |
| Molweight | 413.398 |
| MonoisotopicMass | 413.135111 |
| CLogP | 4.7374 |
| CLogS | -6.618 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 311.43 |
| Relative PSA | 0.18454 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | -2.2705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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