TL;DR: Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- (CAS 63981-15-7) is a chemical compound with molecular formula C14H11N3O6 and molecular weight 317.0648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide
Also Known As: 2-Hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide, 2'-Salicylotoluidide, 3,5'-dinitro-, 2'-Salicylotoluidide,5'-dinitro-, 2'-Salicylotoluidide,3,5'-dinitro, NCI60_041750
| Molecular Formula | C14H11N3O6 |
| Molecular Weight | 317.0648 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.0648 Da |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O |
| InChIKey | QLVVQRCTAOWEFK-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- has 2 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 Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- is 63981-15-7.
The molecular formula of Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- is C14H11N3O6.
The molecular weight of Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro- is 317.0648 g/mol.
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