N-(cyanomethyl)-2-nitrobenzamide
TL;DR: N-(cyanomethyl)-2-nitrobenzamide (CAS 13297-44-4) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(cyanomethyl)-2-nitrobenzamide
Also Known As: N-(cyanomethyl)-2-nitrobenzamide, benzamide, n-(cyanomethyl)-2-nitro-, N-(cyanomethyl)(2-nitrophenyl)carboxamide, BIM-0019075.P001
Technical Specifications
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.04874 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04874 Da |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NCC#N)[N+](=O)[O-] |
| InChIKey | XBKGIGDKFSKMGH-UHFFFAOYSA-N |
Chemical Property Profile of N-(cyanomethyl)-2-nitrobenzamide
Property Insights of N-(cyanomethyl)-2-nitrobenzamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-2-nitrobenzamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-2-nitrobenzamide has 1 hydrogen bond donor(s) and 4 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-(cyanomethyl)-2-nitrobenzamide?
The CAS number of N-(cyanomethyl)-2-nitrobenzamide is 13297-44-4.
What is the molecular formula of N-(cyanomethyl)-2-nitrobenzamide?
The molecular formula of N-(cyanomethyl)-2-nitrobenzamide is C9H7N3O3.
What is the molecular weight of N-(cyanomethyl)-2-nitrobenzamide?
The molecular weight of N-(cyanomethyl)-2-nitrobenzamide is 205.04874 g/mol.
Where can I buy N-(cyanomethyl)-2-nitrobenzamide?
You can request a quote for N-(cyanomethyl)-2-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(cyanomethyl)-2-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(cyanomethyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.