2-chloro-N-(4-cyanophenyl)acetamide
TL;DR: 2-chloro-N-(4-cyanophenyl)acetamide (CAS 114808-90-1) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02469 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(4-cyanophenyl)acetamide
Also Known As: 2-chloro-N-(4-cyanophenyl)acetamide, 2-Chloro-N-(4-cyano-phenyl)-acetamide, N-(2-chloroacetyl)-4-cyanoaniline, Acetamide, 2-chloro-N-(4-cyanophenyl)-, BB 0217233
Technical Specifications
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.02469 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.02469 Da |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
| SMILES | C1=CC(=CC=C1C#N)NC(=O)CCl |
| InChIKey | YEIVRXRLRGZADN-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-N-(4-cyanophenyl)acetamide
Property Insights of 2-chloro-N-(4-cyanophenyl)acetamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(4-cyanophenyl)acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, 2-chloro-N-(4-cyanophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(4-cyanophenyl)acetamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-chloro-N-(4-cyanophenyl)acetamide?
The CAS number of 2-chloro-N-(4-cyanophenyl)acetamide is 114808-90-1.
What is the molecular formula of 2-chloro-N-(4-cyanophenyl)acetamide?
The molecular formula of 2-chloro-N-(4-cyanophenyl)acetamide is C9H7ClN2O.
What is the molecular weight of 2-chloro-N-(4-cyanophenyl)acetamide?
The molecular weight of 2-chloro-N-(4-cyanophenyl)acetamide is 194.02469 g/mol.
Where can I buy 2-chloro-N-(4-cyanophenyl)acetamide?
You can request a quote for 2-chloro-N-(4-cyanophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-N-(4-cyanophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-chloro-N-(4-cyanophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.