N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]benzamide
Formula:C22H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]benzamide is not a drug-like molecule.
| MolName | N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]benzamide |
| MolecularFormula | C22H17N2O2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc1cc(NC(c2ccccc2)=O)ccc1 |
| InChI | InChI=1S/C22H17BrN2O2/c23-18-12-9-16(10-13-18)11-14-21(26)24-19-7-4-8-20(15-19)25-22(27)17-5-2-1-3-6-17/h1-15H,(H,24,26)(H,25,27) |
| InChIK | REEZMRPRULJINM-UHFFFAOYSA-N |
| TotalMolweight | 421.293 |
| Molweight | 421.293 |
| MonoisotopicMass | 420.047339 |
| CLogP | 5.009 |
| CLogS | -5.844 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 296.33 |
| Relative PSA | 0.16536 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -2.2289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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