2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
TL;DR: 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide (CAS 16231-89-3) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
Also Known As: 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.18068 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 428.75897 |
Chemical Identifiers
| CAS Number | 16231-89-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N(CCC#N)C(=O)CCl |
Product Overview
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide (CAS 16231-89-3), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
Property Insights of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
The XLogP value of 2.18068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide. With a topological polar surface area (TPSA) of 53.33 Ų, 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide has 0 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 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide?
The CAS number of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide is 16231-89-3.
What is the molecular formula of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide?
The molecular formula of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide is C12H13ClN2O2.
What is the molecular weight of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide?
The molecular weight of 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide is 252.07 g/mol.
Where can I buy 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide?
You can request a quote for 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide 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-(2-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.