(E)-3-(3-chlorophenyl)-N-(3,4-difluorophenyl)prop-2-enamide
Formula:C15H10NOClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N-(3,4-difluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N-(3,4-difluorophenyl)prop-2-enamide |
| MolecularFormula | C15H10NOClF2 |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)Nc(cc1)cc(F)c1F |
| InChI | InChI=1S/C15H10ClF2NO/c16-11-3-1-2-10(8-11)4-7-15(20)19-12-5-6-13(17)14(18)9-12/h1-9H,(H,19,20) |
| InChIK | VEDFTPCZDGYCGB-UHFFFAOYSA-N |
| TotalMolweight | 293.699 |
| Molweight | 293.699 |
| MonoisotopicMass | 293.041897 |
| CLogP | 3.9439 |
| CLogS | -4.862 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 216.85 |
| Relative PSA | 0.11298 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.7029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-chlorophenyl)-N-(3,4-difluorophenyl)prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-(3,4-difluorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off