N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide

C25H17BrF4N2O4 — CID 175247036

About N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide

N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide (PubChem CID 175247036) has the molecular formula C25H17BrF4N2O4 and a molecular weight of 565.32 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide
• PubChem CID: 175247036
• Molecular Formula: C25H17BrF4N2O4
• Molecular Weight: 565.32 g/mol
• Exact Mass: 564.03
• IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide
• SMILES: COc1cc2nccc(Oc3ccc(C(F)(F)C(=O)Nc4ccc(Br)cc4F)c(F)c3)c2cc1OC
• InChI: InChI=1S/C25H17BrF4N2O4/c1-34-22-11-15-20(12-23(22)35-2)31-8-7-21(15)36-14-4-5-16(17(27)10-14)25(29,30)24(33)32-19-6-3-13(26)9-18(19)28/h3-12H,1-2H3,(H,32,33)
• InChIKey: FCUVKFPFQRROLQ-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.32
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide?

The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide (CID 175247036) is N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide.

What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide?

The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide is COc1cc2nccc(Oc3ccc(C(F)(F)C(=O)Nc4ccc(Br)cc4F)c(F)c3)c2cc1OC.

What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide?

The InChIKey is FCUVKFPFQRROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrF4N2O4/c1-34-22-11-15-20(12-23(22)35-2)31-8-7-21(15)36-14-4-5-16(17(27)10-14)25(29,30)24(33)32-19-6-3-13(26)9-18(19)28/h3-12H,1-2H3,(H,32,33).

What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide?

N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide has a molecular weight of 565.32 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 175247036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).