N-(1,1-Dimethylethyl)-3,4-difluorobenzamide
TL;DR: N-(1,1-Dimethylethyl)-3,4-difluorobenzamide (CAS 223444-29-9) is a chemical compound with molecular formula C11H13F2NO and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3,4-difluorobenzamide
Also Known As: N-(1,1-DIMETHYLETHYL)-3,4-DIFLUOROBENZAMIDE, N-(tert-butyl)-3,4-difluorobenzamide, 3,4-difluoro-N-tert-butyl-benzamide
| Molecular Formula | C11H13F2NO |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 2.4931 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.09653 |
| Heavy Atoms | 15 |
| Complexity | 382.66458 |
Chemical Identifiers
| CAS Number | 223444-29-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC(=C(C=C1)F)F |
Product Overview
N-(1,1-Dimethylethyl)-3,4-difluorobenzamide (CAS 223444-29-9), with molecular formula C11H13F2NO and molecular weight 213.10 g/mol. IUPAC: N-tert-butyl-3,4-difluorobenzamide.
Chemical Property Profile of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide
Property Insights of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide
The XLogP value of 2.4931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-Dimethylethyl)-3,4-difluorobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(1,1-Dimethylethyl)-3,4-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-3,4-difluorobenzamide 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
Frequently Asked Questions
What is the CAS number of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide?
The CAS number of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide is 223444-29-9.
What is the molecular formula of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide?
The molecular formula of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide is C11H13F2NO.
What is the molecular weight of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide?
The molecular weight of N-(1,1-Dimethylethyl)-3,4-difluorobenzamide is 213.10 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-3,4-difluorobenzamide?
You can request a quote for N-(1,1-Dimethylethyl)-3,4-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dimethylethyl)-3,4-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethylethyl)-3,4-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.