2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide
TL;DR: 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide (CAS 329940-64-9) is a chemical compound with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide
Also Known As: 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide, BAS 00624206, 2-Chloro-N-cyclohexyl-N-ethyl-4-nitro-benzamide, (2-chloro-4-nitrophenyl)-N-cyclohexyl-N-ethylcarboxamide
| Molecular Formula | C15H19ClN2O3 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.10843 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 329940-64-9 |
|---|---|
| SMILES | CCN(C1CCCCC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | ZIMRYTSHKDYHEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide (CAS 329940-64-9), with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol. IUPAC: 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide
Property Insights of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide
The XLogP value of 4.0 indicates that 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide 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-cyclohexyl-N-ethyl-4-nitrobenzamide?
The CAS number of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide is 329940-64-9.
What is the molecular formula of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide?
The molecular formula of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide is C15H19ClN2O3.
What is the molecular weight of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide?
The molecular weight of 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide is 310.11 g/mol.
Where can I buy 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide?
You can request a quote for 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide 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-cyclohexyl-N-ethyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-cyclohexyl-N-ethyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.