4-bromo-N-isobutylbenzamide
TL;DR: 4-bromo-N-isobutylbenzamide (CAS 161768-66-7) is a chemical compound with molecular formula C11H14BrNO and molecular weight 255.02588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(2-methylpropyl)benzamide
Also Known As: 4-bromo-N-isobutylbenzamide, N-Isobutyl 4-bromobenzamide, 4-bromo-N-(2-methylpropyl)benzamide, N-Isobutyl4-bromobenzamide, 4-Bromo-N-isobutyl-benzamide
Technical Specifications
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 255.02588 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.02588 Da |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
| SMILES | CC(C)CNC(=O)C1=CC=C(C=C1)Br |
| InChIKey | JAHXIBMUKXWKFH-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-N-isobutylbenzamide
Property Insights of 4-bromo-N-isobutylbenzamide
The XLogP value of 3.2 indicates that 4-bromo-N-isobutylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 4-bromo-N-isobutylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-isobutylbenzamide 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 4-bromo-N-isobutylbenzamide?
The CAS number of 4-bromo-N-isobutylbenzamide is 161768-66-7.
What is the molecular formula of 4-bromo-N-isobutylbenzamide?
The molecular formula of 4-bromo-N-isobutylbenzamide is C11H14BrNO.
What is the molecular weight of 4-bromo-N-isobutylbenzamide?
The molecular weight of 4-bromo-N-isobutylbenzamide is 255.02588 g/mol.
Where can I buy 4-bromo-N-isobutylbenzamide?
You can request a quote for 4-bromo-N-isobutylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-N-isobutylbenzamide?
Yes, CoreyChem provides custom synthesis services for 4-bromo-N-isobutylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.