4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide
Formula:C22H18N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H18N3OF |
| Smiles | O=C(c(cc1)ccc1N(C1)Cc2c1cccc2)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C22H18FN3O/c23-21-8-4-3-5-17(21)13-24-25-22(27)16-9-11-20(12-10-16)26-14-18-6-1-2-7-19(18)15-26/h1-13H,14-15H2,(H,25,27) |
| InChIK | LKEZROHSPSWYSF-UHFFFAOYSA-N |
| TotalMolweight | 359.403 |
| Molweight | 359.403 |
| MonoisotopicMass | 359.14339 |
| CLogP | 3.7908 |
| CLogS | -5.631 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.42 |
| Relative PSA | 0.1426 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.8892 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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