3,4-dichloro-N-(4-nitrophenyl)benzamide
TL;DR: 3,4-dichloro-N-(4-nitrophenyl)benzamide (CAS 110577-49-6) is a chemical compound with molecular formula C13H8Cl2N2O3 and molecular weight 309.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-(4-nitrophenyl)benzamide
Also Known As: 3,4-dichloro-N-(4-nitrophenyl)benzamide, benzamide, 3,4-dichloro-n-(4-nitrophenyl)-, 3,4-Dichloro-N-(4-nitrophenyl)-benzamide, Benzamide,3,4-dichloro-n-(4-nitrophenyl)-, (3,4-dichlorophenyl)-N-(4-nitrophenyl)carboxamide
| Molecular Formula | C13H8Cl2N2O3 |
|---|---|
| Molecular Weight | 309.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9912 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 110577-49-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | CTRSWMDJBKJDRK-UHFFFAOYSA-N |
Product Overview
3,4-dichloro-N-(4-nitrophenyl)benzamide (CAS 110577-49-6), with molecular formula C13H8Cl2N2O3 and molecular weight 309.99 g/mol. IUPAC: 3,4-dichloro-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of 3,4-dichloro-N-(4-nitrophenyl)benzamide
Property Insights of 3,4-dichloro-N-(4-nitrophenyl)benzamide
The XLogP value of 4.2 indicates that 3,4-dichloro-N-(4-nitrophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dichloro-N-(4-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-(4-nitrophenyl)benzamide has 1 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 3,4-dichloro-N-(4-nitrophenyl)benzamide?
The CAS number of 3,4-dichloro-N-(4-nitrophenyl)benzamide is 110577-49-6.
What is the molecular formula of 3,4-dichloro-N-(4-nitrophenyl)benzamide?
The molecular formula of 3,4-dichloro-N-(4-nitrophenyl)benzamide is C13H8Cl2N2O3.
What is the molecular weight of 3,4-dichloro-N-(4-nitrophenyl)benzamide?
The molecular weight of 3,4-dichloro-N-(4-nitrophenyl)benzamide is 309.99 g/mol.
Where can I buy 3,4-dichloro-N-(4-nitrophenyl)benzamide?
You can request a quote for 3,4-dichloro-N-(4-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-(4-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-(4-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.