N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide
TL;DR: N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide (CAS 123270-23-5) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(cyanomethyl)-2-nitrophenyl]acetamide
Also Known As: N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide, n-(4-cyanomethyl-2-nitro-phenyl)-acetamide, N-[4-(cyanomethyl)-2-nitrophenyl]acetamide, Acetamide, N-[4-(cyanomethyl)-2-nitrophenyl]-, N-(4-Cyanomethyl-2-nitrophenyl)acetamide
Technical Specifications
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.06439 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)CC#N)[N+](=O)[O-] |
| InChIKey | XHJXYBIIUUFVLB-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide
Property Insights of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-(4-(Cyanomethyl)-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-(Cyanomethyl)-2-nitrophenyl)acetamide?
The CAS number of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide is 123270-23-5.
What is the molecular formula of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide?
The molecular formula of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide is C10H9N3O3.
What is the molecular weight of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide?
The molecular weight of N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide is 219.06439 g/mol.
Where can I buy N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide?
You can request a quote for N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-(Cyanomethyl)-2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.