(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
Formula:C23H18NO2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C23H18NO2Cl2F |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(c(F)ccc1)c1Cl)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H18Cl2FNO2/c24-18-9-4-17(5-10-18)14-27-23(28)13-8-16-6-11-19(12-7-16)29-15-20-21(25)2-1-3-22(20)26/h1-13H,14-15H2,(H,27,28) |
| InChIK | CFPLUZFXLKYSLQ-UHFFFAOYSA-N |
| TotalMolweight | 430.305 |
| Molweight | 430.305 |
| MonoisotopicMass | 429.069861 |
| CLogP | 5.5066 |
| CLogS | -6.441 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 323.2 |
| Relative PSA | 0.10675 |
| 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 |
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1 - (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide | 2 - (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
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