N-(cyanomethyl)-4-fluorobenzamide
TL;DR: N-(cyanomethyl)-4-fluorobenzamide (CAS 128080-20-6) is a chemical compound with molecular formula C9H7FN2O and molecular weight 178.05424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(cyanomethyl)-4-fluorobenzamide
Also Known As: N-(cyanomethyl)-4-fluorobenzamide, N-Cyanomethyl-4-fluoro-benzamide, BAS 00628440, benzamide, n-(cyanomethyl)-4-fluoro-, N-(cyanomethyl)(4-fluorophenyl)carboxamide
Technical Specifications
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.05424 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.05424 Da |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
| SMILES | C1=CC(=CC=C1C(=O)NCC#N)F |
| InChIKey | AGNARNRHXPDUFZ-UHFFFAOYSA-N |
Chemical Property Profile of N-(cyanomethyl)-4-fluorobenzamide
Property Insights of N-(cyanomethyl)-4-fluorobenzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-4-fluorobenzamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(cyanomethyl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(cyanomethyl)-4-fluorobenzamide 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-(cyanomethyl)-4-fluorobenzamide?
The CAS number of N-(cyanomethyl)-4-fluorobenzamide is 128080-20-6.
What is the molecular formula of N-(cyanomethyl)-4-fluorobenzamide?
The molecular formula of N-(cyanomethyl)-4-fluorobenzamide is C9H7FN2O.
What is the molecular weight of N-(cyanomethyl)-4-fluorobenzamide?
The molecular weight of N-(cyanomethyl)-4-fluorobenzamide is 178.05424 g/mol.
Where can I buy N-(cyanomethyl)-4-fluorobenzamide?
You can request a quote for N-(cyanomethyl)-4-fluorobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(cyanomethyl)-4-fluorobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(cyanomethyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.