(E)-3-(4-fluorophenyl)-2-(2-oxopyridin-1-yl)-N-(2-phenylethyl)prop-2-enamide
Formula:C22H19N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-2-(2-oxopyridin-1-yl)-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-2-(2-oxopyridin-1-yl)-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C22H19N2O2F |
| Smiles | O=C(/C(/N(C=CC=C1)C1=O)=C\c(cc1)ccc1F)NCCc1ccccc1 |
| InChI | InChI=1S/C22H19FN2O2/c23-19-11-9-18(10-12-19)16-20(25-15-5-4-8-21(25)26)22(27)24-14-13-17-6-2-1-3-7-17/h1-12,15-16H,13-14H2,(H,24,27) |
| InChIK | AGVNBEGMEZXWSH-UHFFFAOYSA-N |
| TotalMolweight | 362.403 |
| Molweight | 362.403 |
| MonoisotopicMass | 362.143056 |
| CLogP | 3.454 |
| CLogS | -4.235 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.36 |
| Relative PSA | 0.1425 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 1.465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-2-(2-oxopyridin-1-yl)-N-(2-phenylethyl)prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-2-(2-oxopyridin-1-yl)-N-(2-phenylethyl)prop-2-enamide
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