N-(tert-Butyl)-3-nitrobenzamide
TL;DR: N-(tert-Butyl)-3-nitrobenzamide (CAS 10222-93-2) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-3-nitrobenzamide
Also Known As: N-(tert-Butyl)-3-nitrobenzamide, N-tert-butyl-3-nitrobenzamide, N-tert-Butyl-m-nitrobenzamide, Benzamide, N-tert-butyl-m-nitro-, N-(t-butyl)-3-nitrobenzamide
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CC(C)(C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | CWRIIGJCKWITQT-UHFFFAOYSA-N |
Chemical Property Profile of N-(tert-Butyl)-3-nitrobenzamide
Property Insights of N-(tert-Butyl)-3-nitrobenzamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-Butyl)-3-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(tert-Butyl)-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.
Frequently Asked Questions
What is the CAS number of N-(tert-Butyl)-3-nitrobenzamide?
The CAS number of N-(tert-Butyl)-3-nitrobenzamide is 10222-93-2.
What is the molecular formula of N-(tert-Butyl)-3-nitrobenzamide?
The molecular formula of N-(tert-Butyl)-3-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N-(tert-Butyl)-3-nitrobenzamide?
The molecular weight of N-(tert-Butyl)-3-nitrobenzamide is 222.10045 g/mol.
Where can I buy N-(tert-Butyl)-3-nitrobenzamide?
You can request a quote for N-(tert-Butyl)-3-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(tert-Butyl)-3-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(tert-Butyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.