2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide

C17H11Br2FN2O2 — CID 2358129

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1c(Br)cc(Br)c2cccnc12)Nc1ccccc1F
InChIInChI=1S/C17H11Br2FN2O2/c18-11-8-12(19)17(16-10(11)4-3-7-21-16)24-9-15(23)22-14-6-2-1-5-13(14)20/h1-8H,9H2,(H,22,23)
InChIKeyJRINBDVJWPGPPL-UHFFFAOYSA-N
MW454.09 g/mol
LogP4.92
Rot. Bonds4

About 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide

2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide (PubChem CID 2358129) has the molecular formula C17H11Br2FN2O2 and a molecular weight of 454.09 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide
PubChem CID2358129
Molecular FormulaC17H11Br2FN2O2
Molecular Weight454.09 g/mol
Exact Mass451.92
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1c(Br)cc(Br)c2cccnc12)Nc1ccccc1F
InChIInChI=1S/C17H11Br2FN2O2/c18-11-8-12(19)17(16-10(11)4-3-7-21-16)24-9-15(23)22-14-6-2-1-5-13(14)20/h1-8H,9H2,(H,22,23)
InChIKeyJRINBDVJWPGPPL-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.09
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide (CID 2358129) is 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide is O=C(COc1c(Br)cc(Br)c2cccnc12)Nc1ccccc1F.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide?
The InChIKey is JRINBDVJWPGPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2FN2O2/c18-11-8-12(19)17(16-10(11)4-3-7-21-16)24-9-15(23)22-14-6-2-1-5-13(14)20/h1-8H,9H2,(H,22,23).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide?
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide has a molecular weight of 454.09 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2358129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).