N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
Formula:C22H17N3O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide |
| MolecularFormula | C22H17N3O3ClF |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C22H17ClFN3O3/c23-17-5-1-16(2-6-17)14-30-20-11-3-15(4-12-20)13-25-27-22(29)21(28)26-19-9-7-18(24)8-10-19/h1-13H,14H2,(H,26,28)(H,27,29) |
| InChIK | MVRVTEZHFCULME-UHFFFAOYSA-N |
| TotalMolweight | 425.846 |
| Molweight | 425.846 |
| MonoisotopicMass | 425.094247 |
| CLogP | 4.1988 |
| CLogS | -5.916 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.49 |
| Relative PSA | 0.21932 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.0749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide | 2 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off