TL;DR: 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide (CAS 52130-86-6) is a chemical compound with molecular formula C15H10BrFN2O4 and molecular weight 379.9808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide
Also Known As: 2-bromo-n-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide, 2-Bromo-N-(2-(2-fluorobenzoyl)-4-nitrophenyl)acetamide, 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl ]acetamide, Acetamide, 2-bromo-N-(2-(2-fluorobenzoyl)-4-nitrophenyl)-, 257-680-9
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H10BrFN2O4 |
| Molecular Weight | 379.9808 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.9808 Da |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CBr)F |
| InChIKey | DGIHQJAKOHGCOQ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide. Following Lipinski's Rule of Five, 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide is 52130-86-6.
The molecular formula of 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide is C15H10BrFN2O4.
The molecular weight of 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide is 379.9808 g/mol.
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