N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
Formula:C18H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide |
| MolecularFormula | C18H18N3O2F |
| Smiles | O=C(CC(N/N=C/c(cc1)ccc1F)=O)NCCc1ccccc1 |
| InChI | InChI=1S/C18H18FN3O2/c19-16-8-6-15(7-9-16)13-21-22-18(24)12-17(23)20-11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23)(H,22,24) |
| InChIK | SUTMEGIFKOLYJY-UHFFFAOYSA-N |
| TotalMolweight | 327.358 |
| Molweight | 327.358 |
| MonoisotopicMass | 327.138305 |
| CLogP | 2.8386 |
| CLogS | -4.037 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.83 |
| Relative PSA | 0.22935 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.1645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide | 2 - N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
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