N-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
Formula:C23H19N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide is a drug-like molecule.
| MolName | N-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide |
| MolecularFormula | C23H19N2O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cccc1)c1C(NCc1ccccc1)=O |
| InChI | InChI=1S/C23H19ClN2O2/c24-19-13-10-17(11-14-19)12-15-22(27)26-21-9-5-4-8-20(21)23(28)25-16-18-6-2-1-3-7-18/h1-15H,16H2,(H,25,28)(H,26,27) |
| InChIK | XVKLGWIZZNAXNJ-UHFFFAOYSA-N |
| TotalMolweight | 390.869 |
| Molweight | 390.869 |
| MonoisotopicMass | 390.113505 |
| CLogP | 4.5992 |
| CLogS | -5.562 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 306.88 |
| Relative PSA | 0.15967 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 0.16321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| 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-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide | 2 - N-benzyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
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