TL;DR: N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide (CAS 1212134-80-9) is a chemical compound with molecular formula C16H20BrNO and molecular weight 321.0728 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-bromobenzamide
Also Known As: N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide, AE-848/11735289, N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-bromobenzamide, N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromobenzamide, N-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-2-bromobenzamide
| Molecular Formula | C16H20BrNO |
| Molecular Weight | 321.0728 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0728 Da |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
| SMILES | CC(C1CC2CCC1C2)NC(=O)C3=CC=CC=C3Br |
| InChIKey | IGMNBLIBHADVHT-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide is 1212134-80-9.
The molecular formula of N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide is C16H20BrNO.
The molecular weight of N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide is 321.0728 g/mol.
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