2-(4-chlorophenoxy)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
Formula:C16H13N2O3ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H13N2O3ClF2 |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H13ClF2N2O3/c17-12-3-7-13(8-4-12)23-10-15(22)21-20-9-11-1-5-14(6-2-11)24-16(18)19/h1-9,16H,10H2,(H,21,22) |
| InChIK | GAGABEYWCFQYST-UHFFFAOYSA-N |
| TotalMolweight | 354.739 |
| Molweight | 354.739 |
| MonoisotopicMass | 354.058276 |
| CLogP | 3.5519 |
| CLogS | -4.859 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.37 |
| Relative PSA | 0.21429 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 1.4391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
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