| MolName | N-(2-fluorophenyl)-2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide |
| MolecularFormula | C22H20N4O3F2 |
| Smiles | O=C(CN(C(/C(/N1)=C/c(cc2)cc(F)c2N2CCCC2)=O)C1=O)Nc(cccc1)c1F |
| InChI | InChI=1S/C22H20F2N4O3/c23-15-5-1-2-6-17(15)25-20(29)13-28-21(30)18(26-22(28)31)12-14-7-8-19(16(24)11-14)27-9-3-4-10-27/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,25,29)(H,26,31) |
| InChIK | UIWJDWFTSJYVKF-UHFFFAOYSA-N |
| TotalMolweight | 426.422 |
| Molweight | 426.422 |
| MonoisotopicMass | 426.150347 |
| CLogP | 2.6062 |
| CLogS | -4.998 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 309 |
| Relative PSA | 0.22375 |
| PolarSurfaceArea | 81.75 |
| Druglikeness | 4.0523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-(2-fluorophenyl)-2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide | 2 - N-(2-fluorophenyl)-2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide