2-chloro-N-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl]benzamide
Formula:C21H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl]benzamide |
| MolecularFormula | C21H14N3OCl |
| Smiles | N#C/C(/c1ncccc1)=C\c1cccc(NC(c(cccc2)c2Cl)=O)c1 |
| InChI | InChI=1S/C21H14ClN3O/c22-19-9-2-1-8-18(19)21(26)25-17-7-5-6-15(13-17)12-16(14-23)20-10-3-4-11-24-20/h1-13H,(H,25,26) |
| InChIK | RIUSOIQFWWUHAZ-UHFFFAOYSA-N |
| TotalMolweight | 359.815 |
| Molweight | 359.815 |
| MonoisotopicMass | 359.082539 |
| CLogP | 4.1392 |
| CLogS | -5.106 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.59 |
| Relative PSA | 0.1735 |
| PolarSurfaceArea | 65.78 |
| Druglikeness | -2.9427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-N-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl]benzamide | 2 - 2-chloro-N-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off