2-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]acetamide
Formula:C19H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]acetamide |
| MolecularFormula | C19H15N2O4Cl |
| Smiles | NC(CN(C(/C(/C1=O)=C(/c(cc2)ccc2Cl)\O)c2ccccc2)C1=O)=O |
| InChI | InChI=1S/C19H15ClN2O4/c20-13-8-6-12(7-9-13)17(24)15-16(11-4-2-1-3-5-11)22(10-14(21)23)19(26)18(15)25/h1-9,16,24H,10H2,(H2,21,23)/t16-/m1/s1 |
| InChIK | CAKMKWOWWYYIMM-MRXNPFEDSA-N |
| TotalMolweight | 370.791 |
| Molweight | 370.791 |
| MonoisotopicMass | 370.072035 |
| CLogP | 1.2773 |
| CLogS | -2.735 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.54 |
| Relative PSA | 0.27059 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | 1.701 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 2-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]acetamide | 2 - 2-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]acetamide
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