(E)-3-(4-chlorophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C21H20N2OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C21H20N2OClF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc(C(F)(F)F)cc1)c1N1CCCCC1 |
| InChI | InChI=1S/C21H20ClF3N2O/c22-17-8-4-15(5-9-17)6-11-20(28)26-18-14-16(21(23,24)25)7-10-19(18)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13H2,(H,26,28) |
| InChIK | QKAZXYBZPADNDF-UHFFFAOYSA-N |
| TotalMolweight | 408.85 |
| Molweight | 408.85 |
| MonoisotopicMass | 408.121624 |
| CLogP | 5.4236 |
| CLogS | -6.004 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.21 |
| Relative PSA | 0.093747 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | -6.9552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-3-(4-chlorophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
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