| MolName | N-[(E)-1-(2-fluorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide |
| MolecularFormula | C24H21N2O2F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cccc1)c1F)NCCc1ccccc1 |
| InChI | InChI=1S/C24H21FN2O2/c25-21-14-8-7-13-20(21)17-22(27-23(28)19-11-5-2-6-12-19)24(29)26-16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2,(H,26,29)(H,27,28) |
| InChIK | QJMWTEJHMXGWSM-UHFFFAOYSA-N |
| TotalMolweight | 388.441 |
| Molweight | 388.441 |
| MonoisotopicMass | 388.158706 |
| CLogP | 4.6641 |
| CLogS | -5.115 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 309.78 |
| Relative PSA | 0.15818 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 2.1594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(E)-1-(2-fluorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(2-fluorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide