| MolName | N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide |
| MolecularFormula | C23H18N3O3F |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NNC(c(cc1)ccc1NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C23H18FN3O3/c24-19-11-6-16(7-12-19)8-15-21(28)26-27-23(30)18-9-13-20(14-10-18)25-22(29)17-4-2-1-3-5-17/h1-15H,(H,25,29)(H,26,28)(H,27,30) |
| InChIK | FVLCEQURBAVHJC-UHFFFAOYSA-N |
| TotalMolweight | 403.412 |
| Molweight | 403.412 |
| MonoisotopicMass | 403.13322 |
| CLogP | 3.1951 |
| CLogS | -5.506 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 313.26 |
| Relative PSA | 0.23463 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | -0.14378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide | 2 - N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide