(E)-N-benzyl-N-(cyclopropylmethyl)-3-(4-fluorophenyl)prop-2-enamide
Formula:C20H20NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-(cyclopropylmethyl)-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-N-(cyclopropylmethyl)-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C20H20NOF |
| Smiles | O=C(/C=C/c(cc1)ccc1F)N(CC1CC1)Cc1ccccc1 |
| InChI | InChI=1S/C20H20FNO/c21-19-11-8-16(9-12-19)10-13-20(23)22(15-18-6-7-18)14-17-4-2-1-3-5-17/h1-5,8-13,18H,6-7,14-15H2 |
| InChIK | YJRHIESGQSCPLY-UHFFFAOYSA-N |
| TotalMolweight | 309.383 |
| Molweight | 309.383 |
| MonoisotopicMass | 309.152892 |
| CLogP | 3.9374 |
| CLogS | -4.082 |
| H Acceptors | 2 |
| TotalSurfaceArea | 247.96 |
| Relative PSA | 0.066906 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 2.3223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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