![4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide structure](/static/products/4391/439112-13-7.webp)
4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
TL;DR: 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide (CAS 439112-13-7) is a chemical compound with molecular formula C20H13F5N2O2 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-difluorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
Also Known As: 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, 8R-0362, 4-(2,6-difluorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide, 4-(2,6-difluorobenzoyl)-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
| Molecular Formula | C20H13F5N2O2 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 4.4727 |
| Topological Polar Surface Area | 61.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.08972 |
| Heavy Atoms | 29 |
| Complexity | 1052.4786 |
Chemical Identifiers
| CAS Number | 439112-13-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC(=CN2)C(=O)C3=C(C=CC=C3F)F |
Product Overview
4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide (CAS 439112-13-7), with molecular formula C20H13F5N2O2 and molecular weight 408.09 g/mol. IUPAC: 4-(2,6-difluorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
Chemical Property Profile of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
Property Insights of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
The XLogP value of 4.4727 indicates that 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide. Following Lipinski's Rule of Five, 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide has 2 hydrogen bond donor(s) and 2 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 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide?
The CAS number of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide is 439112-13-7.
What is the molecular formula of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide?
The molecular formula of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide is C20H13F5N2O2.
What is the molecular weight of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide?
The molecular weight of 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide is 408.09 g/mol.
Where can I buy 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide?
You can request a quote for 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-difluorobenzoyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.