N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
Formula:C17H14N3O3F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide |
| MolecularFormula | C17H14N3O3F5 |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C17H14F5N3O3/c18-11-2-4-12(5-3-11)23-9-15(26)25-24-8-10-1-6-13(27-16(19)20)7-14(10)28-17(21)22/h1-8,16-17,23H,9H2,(H,25,26) |
| InChIK | VZWHRFZOMQJHAW-UHFFFAOYSA-N |
| TotalMolweight | 403.306 |
| Molweight | 403.306 |
| MonoisotopicMass | 403.095532 |
| CLogP | 2.9331 |
| CLogS | -5.101 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.96 |
| Relative PSA | 0.23349 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 2.1182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
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