2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
TL;DR: 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide (CAS 314284-52-1) is a chemical compound with molecular formula C13H16ClN3O4 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
Also Known As: 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide, 2-chloro-N-[2-(morpholin-4-yl)ethyl]-4-nitrobenzamide, 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitro-benzamide, (2-chloro-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)carboxamide
| Molecular Formula | C13H16ClN3O4 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.08295 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 314284-52-1 |
|---|---|
| SMILES | C1COCCN1CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | SSUMCCGGAKFUGT-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide (CAS 314284-52-1), with molecular formula C13H16ClN3O4 and molecular weight 313.08 g/mol. IUPAC: 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
Property Insights of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
The CAS number of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide is 314284-52-1.
What is the molecular formula of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
The molecular formula of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide is C13H16ClN3O4.
What is the molecular weight of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
The molecular weight of 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide is 313.08 g/mol.
Where can I buy 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
You can request a quote for 2-chloro-N-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.