2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
Formula:C22H21N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide |
| MolecularFormula | C22H21N4O3F |
| Smiles | O=C(CN(C(/C(/N1)=C/c(cc2)cc(F)c2N2CCCC2)=O)C1=O)Nc1ccccc1 |
| InChI | InChI=1S/C22H21FN4O3/c23-17-12-15(8-9-19(17)26-10-4-5-11-26)13-18-21(29)27(22(30)25-18)14-20(28)24-16-6-2-1-3-7-16/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,24,28)(H,25,30) |
| InChIK | RHUDKSFUIQYFNF-UHFFFAOYSA-N |
| TotalMolweight | 408.432 |
| Molweight | 408.432 |
| MonoisotopicMass | 408.159769 |
| CLogP | 2.5054 |
| CLogS | -4.684 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 302.65 |
| Relative PSA | 0.22845 |
| 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 | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide | 2 - 2-[(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
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