2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide

C11H9BrFN3O2 — CID 43429322

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1cn[nH]c1
InChIInChI=1S/C11H9BrFN3O2/c12-7-1-2-10(9(13)3-7)18-6-11(17)16-8-4-14-15-5-8/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyWJQHXZXIWGWEGE-UHFFFAOYSA-N
MW314.11 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429322) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429322
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1cn[nH]c1
InChIInChI=1S/C11H9BrFN3O2/c12-7-1-2-10(9(13)3-7)18-6-11(17)16-8-4-14-15-5-8/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyWJQHXZXIWGWEGE-UHFFFAOYSA-N
XLogP2.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide (CID 43429322) is 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide is O=C(COc1ccc(Br)cc1F)Nc1cn[nH]c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is WJQHXZXIWGWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c12-7-1-2-10(9(13)3-7)18-6-11(17)16-8-4-14-15-5-8/h1-5H,6H2,(H,14,15)(H,16,17).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 314.11 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).