N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
TL;DR: N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide (CAS 847500-80-5) is a chemical compound with molecular formula C17H15F2N3O3 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-(2,4-difluorophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
| Molecular Formula | C17H15F2N3O3 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 3.7255 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.10815 |
| Heavy Atoms | 25 |
| Complexity | 835.88293 |
Chemical Identifiers
| CAS Number | 847500-80-5 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)F)[N+](=O)[O-] |
Product Overview
N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide (CAS 847500-80-5), with molecular formula C17H15F2N3O3 and molecular weight 347.11 g/mol. IUPAC: N-(2,4-difluorophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
Property Insights of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
The XLogP value of 3.7255 indicates that N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide has 1 hydrogen bond donor(s) and 4 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-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The CAS number of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is 847500-80-5.
What is the molecular formula of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular formula of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is C17H15F2N3O3.
What is the molecular weight of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular weight of N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is 347.11 g/mol.
Where can I buy N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
You can request a quote for N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-difluorophenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.