TL;DR: N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide (CAS 119457-11-3) is a chemical compound with molecular formula C10H9ClN2O4 and molecular weight 256.0251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide
Also Known As: 2-Nitro-4-(2-chloroacetyl)-acetanilide, N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide, 4-Acetyamino-3-nitrophenacyl chloride, 4-(Chloroacetyl)-2-nitroacetanilide, 4-acetylamino-3-nitrophenacyl chloride
| Molecular Formula | C10H9ClN2O4 |
| Molecular Weight | 256.0251 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0251 Da |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)CCl)[N+](=O)[O-] |
| InChIKey | STJQUSFKJADNSQ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide. Following Lipinski's Rule of Five, N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide is 119457-11-3.
The molecular formula of N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide is C10H9ClN2O4.
The molecular weight of N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide is 256.0251 g/mol.
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