N-(4-cyano-2-nitrophenyl)acetamide
TL;DR: N-(4-cyano-2-nitrophenyl)acetamide (CAS 111318-35-5) 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-(4-cyano-2-nitrophenyl)acetamide
Also Known As: N-(4-cyano-2-nitrophenyl)acetamide, 4-Acetamido-3-nitrobenzonitrile, 4-cyano-2-nitroacetanilide, N1-(4-cyano-2-nitrophenyl)acetamide, (4-cyano-2-nitro-phenyl) Acetate
Technical Specifications
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.04874 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 Da |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
| InChIKey | HCEWKFAGNGVVBE-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-cyano-2-nitrophenyl)acetamide
Property Insights of N-(4-cyano-2-nitrophenyl)acetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-cyano-2-nitrophenyl)acetamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyano-2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-(4-cyano-2-nitrophenyl)acetamide 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-(4-cyano-2-nitrophenyl)acetamide?
The CAS number of N-(4-cyano-2-nitrophenyl)acetamide is 111318-35-5.
What is the molecular formula of N-(4-cyano-2-nitrophenyl)acetamide?
The molecular formula of N-(4-cyano-2-nitrophenyl)acetamide is C9H7N3O3.
What is the molecular weight of N-(4-cyano-2-nitrophenyl)acetamide?
The molecular weight of N-(4-cyano-2-nitrophenyl)acetamide is 205.04874 g/mol.
Where can I buy N-(4-cyano-2-nitrophenyl)acetamide?
You can request a quote for N-(4-cyano-2-nitrophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-cyano-2-nitrophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-cyano-2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.