(E)-3-(2,4-dichlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
Formula:C21H22N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C21H22N2OCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1ccc(CN2CCCCC2)cc1 |
| InChI | InChI=1S/C21H22Cl2N2O/c22-18-8-6-17(20(23)14-18)7-11-21(26)24-19-9-4-16(5-10-19)15-25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,24,26) |
| InChIK | QEDALQVGWHWTBH-UHFFFAOYSA-N |
| TotalMolweight | 389.325 |
| Molweight | 389.325 |
| MonoisotopicMass | 388.110917 |
| CLogP | 5.1042 |
| CLogS | -5.44 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 298.93 |
| Relative PSA | 0.093835 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 0.75221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
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