N-(3-cyano-4-fluorophenyl)acetamide
TL;DR: N-(3-cyano-4-fluorophenyl)acetamide (CAS 134811-55-5) 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-(3-cyano-4-fluorophenyl)acetamide
Also Known As: Maybridge3_005279, N-(3-cyano-4-fluorophenyl)acetamide, Acetamide, N-(3-cyano-4-fluorophenyl)-, IDI1_016666
Technical Specifications
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.05424 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05424 Da |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1)F)C#N |
| InChIKey | VBTOAPMECZMZQE-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-cyano-4-fluorophenyl)acetamide
Property Insights of N-(3-cyano-4-fluorophenyl)acetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4-fluorophenyl)acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(3-cyano-4-fluorophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4-fluorophenyl)acetamide 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-(3-cyano-4-fluorophenyl)acetamide?
The CAS number of N-(3-cyano-4-fluorophenyl)acetamide is 134811-55-5.
What is the molecular formula of N-(3-cyano-4-fluorophenyl)acetamide?
The molecular formula of N-(3-cyano-4-fluorophenyl)acetamide is C9H7FN2O.
What is the molecular weight of N-(3-cyano-4-fluorophenyl)acetamide?
The molecular weight of N-(3-cyano-4-fluorophenyl)acetamide is 178.05424 g/mol.
Where can I buy N-(3-cyano-4-fluorophenyl)acetamide?
You can request a quote for N-(3-cyano-4-fluorophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-cyano-4-fluorophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(3-cyano-4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.