2-chloro-N-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
Formula:C21H15N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide is not a drug-like molecule.
| MolName | 2-chloro-N-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide |
| MolecularFormula | C21H15N3O2ClF |
| Smiles | O=C(c(cc1)ccc1NC(c(cccc1)c1Cl)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H15ClFN3O2/c22-19-4-2-1-3-18(19)21(28)25-17-11-7-15(8-12-17)20(27)26-24-13-14-5-9-16(23)10-6-14/h1-13H,(H,25,28)(H,26,27) |
| InChIK | OBNBZWHUROUVPD-UHFFFAOYSA-N |
| TotalMolweight | 395.82 |
| Molweight | 395.82 |
| MonoisotopicMass | 395.083682 |
| CLogP | 5.0559 |
| CLogS | -6.283 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.73 |
| Relative PSA | 0.20324 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-chloro-N-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide | 2 - 2-chloro-N-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
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