(E)-3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
Formula:C20H20N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C20H20N2OCl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1cccc(Cl)c1N1CCCCC1 |
| InChI | InChI=1S/C20H20Cl2N2O/c21-16-10-7-15(8-11-16)9-12-19(25)23-18-6-4-5-17(22)20(18)24-13-2-1-3-14-24/h4-12H,1-3,13-14H2,(H,23,25) |
| InChIK | UDPYYZBPQGFMBV-UHFFFAOYSA-N |
| TotalMolweight | 375.298 |
| Molweight | 375.298 |
| MonoisotopicMass | 374.095267 |
| CLogP | 5.1813 |
| CLogS | -5.962 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.17 |
| Relative PSA | 0.098362 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 0.23479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off