2-(4-chlorophenoxy)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
Formula:C21H17N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide |
| MolecularFormula | C21H17N2O2Cl |
| Smiles | O=C(COc(cc1)ccc1Cl)Nc1cc(/C=C/c2ncccc2)ccc1 |
| InChI | InChI=1S/C21H17ClN2O2/c22-17-8-11-20(12-9-17)26-15-21(25)24-19-6-3-4-16(14-19)7-10-18-5-1-2-13-23-18/h1-14H,15H2,(H,24,25) |
| InChIK | NERJECDAQVCSNB-UHFFFAOYSA-N |
| TotalMolweight | 364.831 |
| Molweight | 364.831 |
| MonoisotopicMass | 364.097855 |
| CLogP | 4.2481 |
| CLogS | -5.009 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.43 |
| Relative PSA | 0.15875 |
| PolarSurfaceArea | 51.22 |
| Druglikeness | 0.96863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide | 2 - 2-(4-chlorophenoxy)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
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