(3R)-N-(4-chlorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Formula:C19H19N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3R)-N-(4-chlorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-(4-chlorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide |
| MolecularFormula | C19H19N2O3Cl |
| Smiles | CCOc(cc1)ccc1N(C[C@@H](C1)C(Nc(cc2)ccc2Cl)=O)C1=O |
| InChI | InChI=1S/C19H19ClN2O3/c1-2-25-17-9-7-16(8-10-17)22-12-13(11-18(22)23)19(24)21-15-5-3-14(20)4-6-15/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1 |
| InChIK | UKYONXPAWGZPPK-CYBMUJFWSA-N |
| TotalMolweight | 358.824 |
| Molweight | 358.824 |
| MonoisotopicMass | 358.10842 |
| CLogP | 3.1821 |
| CLogS | -4.508 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.24 |
| Relative PSA | 0.19046 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 3.755 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
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