N-allyl-2-chlorobenzamide
TL;DR: N-allyl-2-chlorobenzamide (CAS 66896-68-2) is a chemical compound with molecular formula C10H10ClNO and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-prop-2-enylbenzamide
Also Known As: N-allyl-2-chlorobenzamide, N-Allyl-2-chloro-benzamide, 2-chloro-N-prop-2-enylbenzamide, N-allyl-2-chlorobenzenecarboxamide, Benzamide, 2-chloro-N-allyl-
| Molecular Formula | C10H10ClNO |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.2558 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.04509 |
| Heavy Atoms | 13 |
| Complexity | 322.45572 |
Chemical Identifiers
| CAS Number | 66896-68-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC=CC=C1Cl |
Product Overview
N-allyl-2-chlorobenzamide (CAS 66896-68-2), with molecular formula C10H10ClNO and molecular weight 195.05 g/mol. IUPAC: 2-chloro-N-prop-2-enylbenzamide.
Chemical Property Profile of N-allyl-2-chlorobenzamide
Property Insights of N-allyl-2-chlorobenzamide
The XLogP value of 2.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-chlorobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-allyl-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2-chlorobenzamide 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-chlorobenzamide?
The CAS number of N-allyl-2-chlorobenzamide is 66896-68-2.
What is the molecular formula of N-allyl-2-chlorobenzamide?
The molecular formula of N-allyl-2-chlorobenzamide is C10H10ClNO.
What is the molecular weight of N-allyl-2-chlorobenzamide?
The molecular weight of N-allyl-2-chlorobenzamide is 195.05 g/mol.
Where can I buy N-allyl-2-chlorobenzamide?
You can request a quote for N-allyl-2-chlorobenzamide 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-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.