(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-cyclopentylprop-2-enamide
Formula:C21H21NO2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-cyclopentylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-cyclopentylprop-2-enamide |
| MolecularFormula | C21H21NO2ClF |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(c(F)ccc1)c1Cl)NC1CCCC1 |
| InChI | InChI=1S/C21H21ClFNO2/c22-19-6-3-7-20(23)18(19)14-26-17-11-8-15(9-12-17)10-13-21(25)24-16-4-1-2-5-16/h3,6-13,16H,1-2,4-5,14H2,(H,24,25) |
| InChIK | KIIWRGZHIQVJTJ-UHFFFAOYSA-N |
| TotalMolweight | 373.854 |
| Molweight | 373.854 |
| MonoisotopicMass | 373.124484 |
| CLogP | 4.6962 |
| CLogS | -5.686 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.3 |
| Relative PSA | 0.11967 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -3.2624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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