(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
Formula:C23H18NO2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C23H18NO2ClF2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(c(F)ccc1)c1Cl)NCc(cc1)ccc1F |
| InChI | InChI=1S/C23H18ClF2NO2/c24-21-2-1-3-22(26)20(21)15-29-19-11-6-16(7-12-19)8-13-23(28)27-14-17-4-9-18(25)10-5-17/h1-13H,14-15H2,(H,27,28) |
| InChIK | ICBAUMMXVFSJRP-UHFFFAOYSA-N |
| TotalMolweight | 413.85 |
| Molweight | 413.85 |
| MonoisotopicMass | 413.099412 |
| CLogP | 5.0014 |
| CLogS | -6.019 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 314.13 |
| Relative PSA | 0.10983 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide | 2 - (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off