TL;DR: N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide (CAS 1024325-51-6) is a chemical compound with molecular formula C17H22N2O3 and molecular weight 302.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide
Also Known As: N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide, N-(1-(Bicyclo[2.2.1]heptan-2-yl)ethyl)-2-methyl-3-nitrobenzamide, N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide, N-[1-(6-bicyclo[2.2.1]heptyl)ethyl]-2-methyl-3-nitro-benzamide, N-[1-(Bicyclo[2.2.1]heptan-2-yl)ethyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C17H22N2O3 |
| Molecular Weight | 302.16306 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.16306 Da |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(C)C2CC3CCC2C3 |
| InChIKey | QWBNFGIYGCHIFV-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide is 1024325-51-6.
The molecular formula of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide is C17H22N2O3.
The molecular weight of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-nitrobenzamide is 302.16306 g/mol.
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