3-chloro-N-ethyl-N-phenylpropanamide
TL;DR: 3-chloro-N-ethyl-N-phenylpropanamide (CAS 100129-45-1) is a chemical compound with molecular formula C11H14ClNO and molecular weight 211.07639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-ethyl-N-phenylpropanamide
Also Known As: 3-chloro-N-ethyl-N-phenylpropanamide, propanamide, 3-chloro-N-ethyl-N-phenyl-, 3-chloro-N-ethyl-N-phenyl-propanamide, 7096AC, 3-chloro-propionic acid-(N-ethyl-anilide)
Technical Specifications
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.07639 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.07639 Da |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
| SMILES | CCN(C1=CC=CC=C1)C(=O)CCCl |
| InChIKey | UXMLUSLRVFUINU-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-N-ethyl-N-phenylpropanamide
Property Insights of 3-chloro-N-ethyl-N-phenylpropanamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-ethyl-N-phenylpropanamide. With a topological polar surface area (TPSA) of 20.3 Ų, 3-chloro-N-ethyl-N-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-ethyl-N-phenylpropanamide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-chloro-N-ethyl-N-phenylpropanamide?
The CAS number of 3-chloro-N-ethyl-N-phenylpropanamide is 100129-45-1.
What is the molecular formula of 3-chloro-N-ethyl-N-phenylpropanamide?
The molecular formula of 3-chloro-N-ethyl-N-phenylpropanamide is C11H14ClNO.
What is the molecular weight of 3-chloro-N-ethyl-N-phenylpropanamide?
The molecular weight of 3-chloro-N-ethyl-N-phenylpropanamide is 211.07639 g/mol.
Where can I buy 3-chloro-N-ethyl-N-phenylpropanamide?
You can request a quote for 3-chloro-N-ethyl-N-phenylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-N-ethyl-N-phenylpropanamide?
Yes, CoreyChem provides custom synthesis services for 3-chloro-N-ethyl-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.