| MolName | N-[(Z)-3-[(2-fluorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H17N2O3F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)NCc(cccc1)c1F |
| InChI | InChI=1S/C21H17FN2O3/c22-18-11-5-4-9-16(18)14-23-21(26)19(13-17-10-6-12-27-17)24-20(25)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,26)(H,24,25) |
| InChIK | HODLNQZKMYEFQZ-UHFFFAOYSA-N |
| TotalMolweight | 364.375 |
| Molweight | 364.375 |
| MonoisotopicMass | 364.122321 |
| CLogP | 3.4227 |
| CLogS | -4.685 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 285.71 |
| Relative PSA | 0.22089 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 1.78 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-3-[(2-fluorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[(2-fluorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide