2-[(2-phenoxyacetyl)amino]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C18H16N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-phenoxyacetyl)amino]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-phenoxyacetyl)amino]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C18H16N3O3F3 |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H16F3N3O3/c19-18(20,21)14-8-6-13(7-9-14)10-23-24-16(25)11-22-17(26)12-27-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,22,26)(H,24,25) |
| InChIK | DQXZGLRLZHXWHQ-UHFFFAOYSA-N |
| TotalMolweight | 379.337 |
| Molweight | 379.337 |
| MonoisotopicMass | 379.114376 |
| CLogP | 2.7085 |
| CLogS | -4.046 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.18 |
| Relative PSA | 0.24899 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -2.0005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(2-phenoxyacetyl)amino]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(2-phenoxyacetyl)amino]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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