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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide (CAS 1172064-06-0) is a chemical compound with molecular formula C10H6ClF3N2O and molecular weight 262.0121 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide, N-(2-Chloro-5-trifluoromethyl-phenyl)-2-cyano-acetamide, N-(2-Chloro-5-trifluoromethyl-phenyl)-2-cyanoacetamide, N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-cyanoacetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-acetamide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6ClF3N2O |
| Molecular Weight | 262.0121 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0121 Da |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC(=O)CC#N)Cl |
| InChIKey | XSQYAJTXRBPHHN-UHFFFAOYSA-N |
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
The XLogP value of 3.2 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide has 1 hydrogen bond donor(s) and 5 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-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide is 1172064-06-0.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide is C10H6ClF3N2O.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide is 262.0121 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.