N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Formula:C18H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C18H15N3O2Cl2 |
| Smiles | O=C(C(C(CN1)c2ccccc2)C1=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H15Cl2N3O2/c19-14-7-6-11(8-15(14)20)9-22-23-18(25)16-13(10-21-17(16)24)12-4-2-1-3-5-12/h1-9,13,16H,10H2,(H,21,24)(H,23,25) |
| InChIK | BYEYZZODDDCIDU-UHFFFAOYSA-N |
| TotalMolweight | 376.242 |
| Molweight | 376.242 |
| MonoisotopicMass | 375.054131 |
| CLogP | 3.8426 |
| CLogS | -5.269 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.3 |
| Relative PSA | 0.22222 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.9433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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