TL;DR: N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide (CAS 33311-76-1) is a chemical compound with molecular formula C23H15N3O6 and molecular weight 429.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-benzoyl-4-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: Nitrazepam EP Impurity D, N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide, N-(2-benzoyl-4-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide, 311B761, N- -1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide
| Molecular Formula | C23H15N3O6 |
| Molecular Weight | 429.0961 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.0961 Da |
| Heavy Atoms | 32 |
| Complexity | 763.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | LOSQQICCFSLPSF-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide. Following Lipinski's Rule of Five, N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide is 33311-76-1.
The molecular formula of N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide is C23H15N3O6.
The molecular weight of N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide is 429.0961 g/mol.
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