N-tert-butyl-4-chloro-3-nitrobenzamide
TL;DR: N-tert-butyl-4-chloro-3-nitrobenzamide (CAS 110723-51-8) is a chemical compound with molecular formula C11H13ClN2O3 and molecular weight 256.06146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-4-chloro-3-nitrobenzamide
Also Known As: N-tert-butyl-4-chloro-3-nitrobenzamide, BAS 00407651, N-tert-Butyl-3-nitro-4-chlorobenzamide, N-tert-Butyl-4-chloro-3-nitro-benzamide, N-(tert-Butyl)-4-chloro-3-nitrobenzamide
Technical Specifications
| Molecular Formula | C11H13ClN2O3 |
| Molecular Weight | 256.06146 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.06146 Da |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| SMILES | CC(C)(C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | GBGBZIAJYUVBIC-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-4-chloro-3-nitrobenzamide
Property Insights of N-tert-butyl-4-chloro-3-nitrobenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4-chloro-3-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N-tert-butyl-4-chloro-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-4-chloro-3-nitrobenzamide?
The CAS number of N-tert-butyl-4-chloro-3-nitrobenzamide is 110723-51-8.
What is the molecular formula of N-tert-butyl-4-chloro-3-nitrobenzamide?
The molecular formula of N-tert-butyl-4-chloro-3-nitrobenzamide is C11H13ClN2O3.
What is the molecular weight of N-tert-butyl-4-chloro-3-nitrobenzamide?
The molecular weight of N-tert-butyl-4-chloro-3-nitrobenzamide is 256.06146 g/mol.
Where can I buy N-tert-butyl-4-chloro-3-nitrobenzamide?
You can request a quote for N-tert-butyl-4-chloro-3-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-4-chloro-3-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.