N-(2-Chloroethyl)-3,4-dimethylbenzamide
TL;DR: N-(2-Chloroethyl)-3,4-dimethylbenzamide (CAS 15295-43-9) 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.
N-(2-chloroethyl)-3,4-dimethylbenzamide
Also Known As: N-(2-Chloroethyl)-3,4-dimethylbenzamide, Benzamide, N-(2-chloroethyl)-3,4-dimethyl-, N-(2-CHLOROETHYL)-3,4-DIMETHYL-BENZAMIDE, B6B2CU9JF7, NSC 96331
Technical Specifications
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.07639 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.07639 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)NCCCl)C |
| InChIKey | BHIXUJAVQJKHLA-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Chloroethyl)-3,4-dimethylbenzamide
Property Insights of N-(2-Chloroethyl)-3,4-dimethylbenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-3,4-dimethylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-Chloroethyl)-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-3,4-dimethylbenzamide 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
What is the CAS number of N-(2-Chloroethyl)-3,4-dimethylbenzamide?
The CAS number of N-(2-Chloroethyl)-3,4-dimethylbenzamide is 15295-43-9.
What is the molecular formula of N-(2-Chloroethyl)-3,4-dimethylbenzamide?
The molecular formula of N-(2-Chloroethyl)-3,4-dimethylbenzamide is C11H14ClNO.
What is the molecular weight of N-(2-Chloroethyl)-3,4-dimethylbenzamide?
The molecular weight of N-(2-Chloroethyl)-3,4-dimethylbenzamide is 211.07639 g/mol.
Where can I buy N-(2-Chloroethyl)-3,4-dimethylbenzamide?
You can request a quote for N-(2-Chloroethyl)-3,4-dimethylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Chloroethyl)-3,4-dimethylbenzamide?
Yes, CoreyChem provides custom synthesis services for N-(2-Chloroethyl)-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.