N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide
TL;DR: N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide (CAS 543693-64-7) is a chemical compound with molecular formula C15H12Cl2N2O3 and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dichlorophenyl)methyl]-3-methyl-4-nitrobenzamide
Also Known As: N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide, N-(3,4-dichlorobenzyl)-3-methyl-4-nitrobenzamide, N-[(3,4-dichlorophenyl)methyl]-3-methyl-4-nitrobenzamide, N-[(3,4-dichlorophenyl)methyl](3-methyl-4-nitrophenyl)carboxamide
| Molecular Formula | C15H12Cl2N2O3 |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 4.14002 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0225 |
| Heavy Atoms | 22 |
| Complexity | 747.56256 |
Chemical Identifiers
| CAS Number | 543693-64-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide (CAS 543693-64-7), with molecular formula C15H12Cl2N2O3 and molecular weight 338.02 g/mol. IUPAC: N-[(3,4-dichlorophenyl)methyl]-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide
Property Insights of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide
The XLogP value of 4.14002 indicates that N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide. Following Lipinski's Rule of Five, N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide 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 N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide?
The CAS number of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide is 543693-64-7.
What is the molecular formula of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide?
The molecular formula of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide is C15H12Cl2N2O3.
What is the molecular weight of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide?
The molecular weight of N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide is 338.02 g/mol.
Where can I buy N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide?
You can request a quote for N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dichlorobenzyl)-4-nitro-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.