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N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide structure
Fine Chemical

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (CAS 1039039-95-6) is a chemical compound with molecular formula C27H24F2N2O5 and molecular weight 494.1653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide, N-(3,4-dimethoxyphenethyl)-3-fluoro-N-(1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)benzamide

CAS Number
1039039-95-6
Molecular Formula
C27H24F2N2O5
Molecular Weight
494.1653 g/mol
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Technical Specifications

Molecular FormulaC27H24F2N2O5
Molecular Weight494.1653 g/mol
XLogP4.1
Topological Polar Surface Area (TPSA)76.2 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds8
Exact Mass494.1653 Da
Heavy Atoms36
Complexity790.0
SMILESCOC1=C(C=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)F)OC
InChIKeyLKACZRKVNXSLEG-UHFFFAOYSA-N

Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

XLogP
4.1
TPSA (Topological Polar Surface Area)
76.2
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
8
Heavy Atoms
36
Complexity
790.0
Exact Mass
494.1653
Monoisotopic Mass
494.1653
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

The XLogP value of 4.1 indicates that N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?

The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is 1039039-95-6.

What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?

The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is C27H24F2N2O5.

What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?

The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is 494.1653 g/mol.

Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?

You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?

Yes, CoreyChem provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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