2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide

C14H10BrF2NO2 — CID 115918565

IUPAC2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cc(Br)ccc1F)Nc1ccc(F)cc1
InChIInChI=1S/C14H10BrF2NO2/c15-9-1-6-12(17)13(7-9)20-8-14(19)18-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19)
InChIKeyQDZGVCYXRIVFMG-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.74
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide

2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 115918565) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID115918565
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cc(Br)ccc1F)Nc1ccc(F)cc1
InChIInChI=1S/C14H10BrF2NO2/c15-9-1-6-12(17)13(7-9)20-8-14(19)18-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19)
InChIKeyQDZGVCYXRIVFMG-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide (CID 115918565) is 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide is O=C(COc1cc(Br)ccc1F)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is QDZGVCYXRIVFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-9-1-6-12(17)13(7-9)20-8-14(19)18-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 342.14 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 115918565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).