4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide
TL;DR: 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide (CAS 785845-98-9) is a chemical compound with molecular formula C26H18Cl2F3N3O3 and molecular weight 547.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
Also Known As: 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide, 4-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
| Molecular Formula | C26H18Cl2F3N3O3 |
|---|---|
| Molecular Weight | 547.07 g/mol |
| LogP | 6.0849 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.06775 |
| Heavy Atoms | 37 |
| Complexity | 1391.671 |
Chemical Identifiers
| CAS Number | 785845-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide (CAS 785845-98-9), with molecular formula C26H18Cl2F3N3O3 and molecular weight 547.07 g/mol. IUPAC: 4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.
Chemical Property Profile of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide
Property Insights of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide
The XLogP value of 6.0849 indicates that 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide. Following Lipinski's Rule of Five, 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide?
The CAS number of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide is 785845-98-9.
What is the molecular formula of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide?
The molecular formula of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide is C26H18Cl2F3N3O3.
What is the molecular weight of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide?
The molecular weight of 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide is 547.07 g/mol.
Where can I buy 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide?
You can request a quote for 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chloro-2,5-dioxo-1-phenethyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.