N-[(Z)-benzylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
Formula:C21H16N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide |
| MolecularFormula | C21H16N3O2F |
| Smiles | O=C(c(cc1)ccc1F)Nc(cccc1)c1C(N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C21H16FN3O2/c22-17-12-10-16(11-13-17)20(26)24-19-9-5-4-8-18(19)21(27)25-23-14-15-6-2-1-3-7-15/h1-14H,(H,24,26)(H,25,27) |
| InChIK | PLFXXFHCUAQIOK-UHFFFAOYSA-N |
| TotalMolweight | 361.375 |
| Molweight | 361.375 |
| MonoisotopicMass | 361.122655 |
| CLogP | 4.4499 |
| CLogS | -5.547 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 282.31 |
| Relative PSA | 0.21434 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide | 2 - N-[(Z)-benzylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off