3-[(4-fluorobenzoyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
Formula:C21H15N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N3O2F2 |
| Smiles | O=C(c(cc1)ccc1F)Nc1cc(C(N/N=C\c(cc2)ccc2F)=O)ccc1 |
| InChI | InChI=1S/C21H15F2N3O2/c22-17-8-4-14(5-9-17)13-24-26-21(28)16-2-1-3-19(12-16)25-20(27)15-6-10-18(23)11-7-15/h1-13H,(H,25,27)(H,26,28) |
| InChIK | MCQLWDDSWCPTCV-UHFFFAOYSA-N |
| TotalMolweight | 379.365 |
| Molweight | 379.365 |
| MonoisotopicMass | 379.113233 |
| CLogP | 4.5507 |
| CLogS | -5.861 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 288.66 |
| Relative PSA | 0.20962 |
| 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 | 0.67857 |
| 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 - 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide | 2 - 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
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