N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide
TL;DR: N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide (CAS 648409-37-4) is a chemical compound with molecular formula C21H14ClFN2O5 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide
Also Known As: N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide, N-(2H-1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide
| Molecular Formula | C21H14ClFN2O5 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 4.963 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.05753 |
| Heavy Atoms | 30 |
| Complexity | 1136.7407 |
Chemical Identifiers
| CAS Number | 648409-37-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN(C3=CC=C(C=C3)F)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide (CAS 648409-37-4), with molecular formula C21H14ClFN2O5 and molecular weight 428.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide.
Chemical Property Profile of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide
Property Insights of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide
The XLogP value of 4.963 indicates that N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide has 0 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 N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide?
The CAS number of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide is 648409-37-4.
What is the molecular formula of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide?
The molecular formula of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide is C21H14ClFN2O5.
What is the molecular weight of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide?
The molecular weight of N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide is 428.06 g/mol.
Where can I buy N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide?
You can request a quote for N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(1,3-benzodioxol-5-ylmethyl)-N1-(4-fluorophenyl)-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.