N-allyl-2,2-dichloroacetamide
TL;DR: N-allyl-2,2-dichloroacetamide (CAS 39089-53-7) is a chemical compound with molecular formula C5H7Cl2NO and molecular weight 166.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-N-prop-2-enylacetamide
Also Known As: N-allyl-2,2-dichloroacetamide, (Dichloroethanamido)propene, acetamide, 2,2-dichloro-N-2-propenyl-, 2,2-dichloro-N-prop-2-enylacetamide, J1.231.902I
| Molecular Formula | C5H7Cl2NO |
|---|---|
| Molecular Weight | 166.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.99046 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 39089-53-7 |
|---|---|
| SMILES | C=CCNC(=O)C(Cl)Cl |
| InChIKey | QEVQAUWGMNGRTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-allyl-2,2-dichloroacetamide (CAS 39089-53-7), with molecular formula C5H7Cl2NO and molecular weight 166.99 g/mol. IUPAC: 2,2-dichloro-N-prop-2-enylacetamide.
Chemical Property Profile of N-allyl-2,2-dichloroacetamide
Property Insights of N-allyl-2,2-dichloroacetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2,2-dichloroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-allyl-2,2-dichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2,2-dichloroacetamide has 1 hydrogen bond donor(s) and 1 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-allyl-2,2-dichloroacetamide?
The CAS number of N-allyl-2,2-dichloroacetamide is 39089-53-7.
What is the molecular formula of N-allyl-2,2-dichloroacetamide?
The molecular formula of N-allyl-2,2-dichloroacetamide is C5H7Cl2NO.
What is the molecular weight of N-allyl-2,2-dichloroacetamide?
The molecular weight of N-allyl-2,2-dichloroacetamide is 166.99 g/mol.
Where can I buy N-allyl-2,2-dichloroacetamide?
You can request a quote for N-allyl-2,2-dichloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2,2-dichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2,2-dichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.