2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Formula:C19H13N3O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C19H13N3O3ClF3 |
| Smiles | O=C(CN(C(/C(/N1)=C/c(cc2)ccc2Cl)=O)C1=O)Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C19H13ClF3N3O3/c20-12-7-5-11(6-8-12)9-15-17(28)26(18(29)25-15)10-16(27)24-14-4-2-1-3-13(14)19(21,22)23/h1-9H,10H2,(H,24,27)(H,25,29) |
| InChIK | GNXOZAFFMRALJC-UHFFFAOYSA-N |
| TotalMolweight | 423.777 |
| Molweight | 423.777 |
| MonoisotopicMass | 423.059753 |
| CLogP | 3.3679 |
| CLogS | -5.162 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.34 |
| Relative PSA | 0.22669 |
| PolarSurfaceArea | 78.51 |
| Druglikeness | -1.7825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide | 2 - 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
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