| MolName | N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-chlorobenzamide |
| MolecularFormula | C23H19N2O2Cl |
| Smiles | O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c1ccccc1)NCc1ccccc1 |
| InChI | InChI=1S/C23H19ClN2O2/c24-20-14-8-7-13-19(20)22(27)26-21(15-17-9-3-1-4-10-17)23(28)25-16-18-11-5-2-6-12-18/h1-15H,16H2,(H,25,28)(H,26,27) |
| InChIK | HEZXSWKLHCGIHN-UHFFFAOYSA-N |
| TotalMolweight | 390.869 |
| Molweight | 390.869 |
| MonoisotopicMass | 390.113505 |
| CLogP | 4.7392 |
| CLogS | -5.425 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 305.09 |
| Relative PSA | 0.16061 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 3.4624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-chlorobenzamide | 2 - N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-chlorobenzamide