N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C17H15N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C17H15N3O3Cl2 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C/c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H15Cl2N3O3/c18-13-5-3-11(9-14(13)19)15-6-4-12(25-15)10-20-21-16(23)17(24)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23) |
| InChIK | YXPDFAFPZIGYMO-UHFFFAOYSA-N |
| TotalMolweight | 380.23 |
| Molweight | 380.23 |
| MonoisotopicMass | 379.049046 |
| CLogP | 3.6436 |
| CLogS | -5.274 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.11 |
| Relative PSA | 0.24073 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 7.165 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide | 2 - N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
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