2-(4-chlorophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
Formula:C15H11N2O2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N2O2ClF2 |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C15H11ClF2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21) |
| InChIK | WBXUGWCTIRSKHF-UHFFFAOYSA-N |
| TotalMolweight | 324.713 |
| Molweight | 324.713 |
| MonoisotopicMass | 324.047711 |
| CLogP | 3.5841 |
| CLogS | -4.865 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.87 |
| Relative PSA | 0.19262 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.8878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
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