N-benzyl-4-chloro-N-methyl-2-nitrobenzamide
TL;DR: N-benzyl-4-chloro-N-methyl-2-nitrobenzamide (CAS 333346-76-2) is a chemical compound with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-chloro-N-methyl-2-nitrobenzamide
Also Known As: N-benzyl-4-chloro-N-methyl-2-nitrobenzamide, BAS 00783387, N-Benzyl-4-chloro-N-methyl-2-nitro-benzamide, (4-chloro-2-nitrophenyl)-N-methyl-N-benzylcarboxamide, Cambridge id 5652937
| Molecular Formula | C15H13ClN2O3 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 3.5204 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.06146 |
| Heavy Atoms | 21 |
| Complexity | 673.8739 |
Chemical Identifiers
| CAS Number | 333346-76-2 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-benzyl-4-chloro-N-methyl-2-nitrobenzamide (CAS 333346-76-2), with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol. IUPAC: N-benzyl-4-chloro-N-methyl-2-nitrobenzamide.
Chemical Property Profile of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide
Property Insights of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide
The XLogP value of 3.5204 indicates that N-benzyl-4-chloro-N-methyl-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-chloro-N-methyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-benzyl-4-chloro-N-methyl-2-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 N-benzyl-4-chloro-N-methyl-2-nitrobenzamide?
The CAS number of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide is 333346-76-2.
What is the molecular formula of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide?
The molecular formula of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide is C15H13ClN2O3.
What is the molecular weight of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide?
The molecular weight of N-benzyl-4-chloro-N-methyl-2-nitrobenzamide is 304.06 g/mol.
Where can I buy N-benzyl-4-chloro-N-methyl-2-nitrobenzamide?
You can request a quote for N-benzyl-4-chloro-N-methyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-chloro-N-methyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-chloro-N-methyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.