N-(2-fluorophenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
Formula:C21H21N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-(2-fluorophenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-fluorophenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide |
| MolecularFormula | C21H21N4O4F |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc(cccc2)c2F)=O)=O)cc1)N1CCCC1 |
| InChI | InChI=1S/C21H21FN4O4/c22-17-5-1-2-6-18(17)24-20(28)21(29)25-23-13-15-7-9-16(10-8-15)30-14-19(27)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,14H2,(H,24,28)(H,25,29) |
| InChIK | LYPDVPJTEYILQL-UHFFFAOYSA-N |
| TotalMolweight | 412.42 |
| Molweight | 412.42 |
| MonoisotopicMass | 412.154684 |
| CLogP | 2.3159 |
| CLogS | -3.948 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 315.9 |
| Relative PSA | 0.27572 |
| PolarSurfaceArea | 100.1 |
| Druglikeness | 4.3537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-(2-fluorophenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide | 2 - N-(2-fluorophenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
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