N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
Formula:C22H21N4O3Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide |
| MolecularFormula | C22H21N4O3Cl |
| Smiles | O=C(CN(C(/C(/N1)=C/c(cc2)ccc2N2CCCC2)=O)C1=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H21ClN4O3/c23-16-5-7-17(8-6-16)24-20(28)14-27-21(29)19(25-22(27)30)13-15-3-9-18(10-4-15)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2,(H,24,28)(H,25,30) |
| InChIK | TVVXOCKFEIPFOH-UHFFFAOYSA-N |
| TotalMolweight | 424.887 |
| Molweight | 424.887 |
| MonoisotopicMass | 424.130218 |
| CLogP | 3.0106 |
| CLogS | -5.106 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 311.72 |
| Relative PSA | 0.2218 |
| PolarSurfaceArea | 81.75 |
| Druglikeness | 5.4365 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.63333 |
| 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 | 5 |
| Symmetricatoms | 6 |
| Amides | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide | 2 - N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
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