N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide (CAS 219529-31-4) is a chemical compound with molecular formula C9H6ClFN2O and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide, Maybridge1_001140, N-(3-Chloro-4-fluoro-phenyl)-2-cyano-acetamide, ZERO/005582, N-(3-Chloro-4-fluorophenyl)-2-cyano-acetamide
| Molecular Formula | C9H6ClFN2O |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.01527 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 219529-31-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CC#N)Cl)F |
| InChIKey | KRDXNYGEOLWCLC-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide (CAS 219529-31-4), with molecular formula C9H6ClFN2O and molecular weight 212.02 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide 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
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide is 219529-31-4.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide is C9H6ClFN2O.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide is 212.02 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.