(E)-N-benzyl-N-(cyclobutylmethyl)-3-(4-fluorophenyl)prop-2-enamide
Formula:C21H22NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-(cyclobutylmethyl)-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-N-(cyclobutylmethyl)-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C21H22NOF |
| Smiles | O=C(/C=C/c(cc1)ccc1F)N(CC1CCC1)Cc1ccccc1 |
| InChI | InChI=1S/C21H22FNO/c22-20-12-9-17(10-13-20)11-14-21(24)23(16-19-7-4-8-19)15-18-5-2-1-3-6-18/h1-3,5-6,9-14,19H,4,7-8,15-16H2 |
| InChIK | JFVSPSKMKANPEB-UHFFFAOYSA-N |
| TotalMolweight | 323.41 |
| Molweight | 323.41 |
| MonoisotopicMass | 323.168542 |
| CLogP | 4.2794 |
| CLogS | -4.352 |
| H Acceptors | 2 |
| TotalSurfaceArea | 261.72 |
| Relative PSA | 0.063388 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 0.55069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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