2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 98012-92-1) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide, 2-Cyano-N-(3-(trifluoromethyl)phenyl)acetamide, Leflunomide impurity 22, Maybridge1_002329, 2-Cyano-3'-(trifluoromethyl)acetanilide
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 98012-92-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CC#N)C(F)(F)F |
| InChIKey | HYPXSLNQQNLJDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 98012-92-1), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide
The XLogP value of 3.0 indicates that 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide 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
Frequently Asked Questions
What is the CAS number of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide is 98012-92-1.
What is the molecular formula of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide is C10H7F3N2O.
What is the molecular weight of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide is 228.05 g/mol.
Where can I buy 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(3-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.