(E)-3-(2,4-dichlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
Formula:C20H20N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H20N2OCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1ccc(CN2CCCC2)cc1 |
| InChI | InChI=1S/C20H20Cl2N2O/c21-17-7-5-16(19(22)13-17)6-10-20(25)23-18-8-3-15(4-9-18)14-24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2,(H,23,25) |
| InChIK | IUQTVOWQZCBQKF-UHFFFAOYSA-N |
| TotalMolweight | 375.298 |
| Molweight | 375.298 |
| MonoisotopicMass | 374.095267 |
| CLogP | 4.7622 |
| CLogS | -5.17 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.17 |
| Relative PSA | 0.098362 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 2.0807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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