N-[3-[[(Z)-benzylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
Formula:C21H16N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[[(Z)-benzylideneamino]carbamoyl]phenyl]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[3-[[(Z)-benzylideneamino]carbamoyl]phenyl]-2-fluorobenzamide |
| MolecularFormula | C21H16N3O2F |
| Smiles | O=C(c1cccc(NC(c(cccc2)c2F)=O)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H16FN3O2/c22-19-12-5-4-11-18(19)21(27)24-17-10-6-9-16(13-17)20(26)25-23-14-15-7-2-1-3-8-15/h1-14H,(H,24,27)(H,25,26) |
| InChIK | LBTSSLPOHNZTIL-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 | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[3-[[(Z)-benzylideneamino]carbamoyl]phenyl]-2-fluorobenzamide | 2 - N-[3-[[(Z)-benzylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
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