3-[(4-fluorobenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C23H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-fluorobenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-[(4-fluorobenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C23H18N3O2F |
| Smiles | O=C(c(cc1)ccc1F)Nc1cc(C(N/N=C\C=C\c2ccccc2)=O)ccc1 |
| InChI | InChI=1S/C23H18FN3O2/c24-20-13-11-18(12-14-20)22(28)26-21-10-4-9-19(16-21)23(29)27-25-15-5-8-17-6-2-1-3-7-17/h1-16H,(H,26,28)(H,27,29) |
| InChIK | SGARYWSBXITVKI-UHFFFAOYSA-N |
| TotalMolweight | 387.413 |
| Molweight | 387.413 |
| MonoisotopicMass | 387.138305 |
| CLogP | 4.4682 |
| CLogS | -5.839 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 308.81 |
| Relative PSA | 0.19595 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| 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)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 3-[(4-fluorobenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
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