2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
TL;DR: 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide (CAS 16231-77-9) is a chemical compound with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
Also Known As: 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide, Acetamide, 2-chloro-N-(2-cyanoethyl)-N-phenyl-, 2-chloro-N-(2-cyanoethyl)-N-phenyl-acetamide
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 2.17208 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 358.6007 |
Chemical Identifiers
| CAS Number | 16231-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)C(=O)CCl |
Product Overview
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide (CAS 16231-77-9), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide.
Chemical Property Profile of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
Property Insights of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
The XLogP value of 2.17208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide. With a topological polar surface area (TPSA) of 44.1 Ų, 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide has 0 hydrogen bond donor(s) and 2 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-chloro-N-(2-cyanoethyl)-N-phenylacetamide?
The CAS number of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide is 16231-77-9.
What is the molecular formula of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide?
The molecular formula of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide is C11H11ClN2O.
What is the molecular weight of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide?
The molecular weight of 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide is 222.06 g/mol.
Where can I buy 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide?
You can request a quote for 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-cyanoethyl)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.