N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
Formula:C22H15N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide |
| MolecularFormula | C22H15N4O2F |
| Smiles | N#Cc1ccc(/C=N\NC(c(cccc2)c2NC(c(cc2)ccc2F)=O)=O)cc1 |
| InChI | InChI=1S/C22H15FN4O2/c23-18-11-9-17(10-12-18)21(28)26-20-4-2-1-3-19(20)22(29)27-25-14-16-7-5-15(13-24)6-8-16/h1-12,14H,(H,26,28)(H,27,29) |
| InChIK | WJRQBSUJXNHVIB-UHFFFAOYSA-N |
| TotalMolweight | 386.385 |
| Molweight | 386.385 |
| MonoisotopicMass | 386.117904 |
| CLogP | 4.2855 |
| CLogS | -6.32 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 304.02 |
| Relative PSA | 0.24364 |
| PolarSurfaceArea | 94.35 |
| Druglikeness | -0.72081 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
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