N-benzyl-3-bromobenzamide
TL;DR: N-benzyl-3-bromobenzamide (CAS 161261-55-8) is a chemical compound with molecular formula C14H12BrNO and molecular weight 289.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-bromobenzamide
Also Known As: N-benzyl-3-bromobenzamide, N-Benzyl 3-bromobenzamide, N-Benzyl-3-bromo-benzamide, Benzamide, 3-bromo-N-(phenylmethyl)-, Benzamide,3-bromo-N-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C14H12BrNO |
| Molecular Weight | 289.01022 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.01022 Da |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)Br |
| InChIKey | WWABSNAGARGAQD-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-3-bromobenzamide
Property Insights of N-benzyl-3-bromobenzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-bromobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-benzyl-3-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-bromobenzamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-benzyl-3-bromobenzamide?
The CAS number of N-benzyl-3-bromobenzamide is 161261-55-8.
What is the molecular formula of N-benzyl-3-bromobenzamide?
The molecular formula of N-benzyl-3-bromobenzamide is C14H12BrNO.
What is the molecular weight of N-benzyl-3-bromobenzamide?
The molecular weight of N-benzyl-3-bromobenzamide is 289.01022 g/mol.
Where can I buy N-benzyl-3-bromobenzamide?
You can request a quote for N-benzyl-3-bromobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-3-bromobenzamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-3-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.