2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide

C12H11BrFN3O2 — CID 47091379

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C12H11BrFN3O2/c1-17-11(4-5-15-17)16-12(18)7-19-10-3-2-8(14)6-9(10)13/h2-6H,7H2,1H3,(H,16,18)
InChIKeyFIZICPOEMKZLNR-UHFFFAOYSA-N
MW328.14 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide (PubChem CID 47091379) has the molecular formula C12H11BrFN3O2 and a molecular weight of 328.14 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide
PubChem CID47091379
Molecular FormulaC12H11BrFN3O2
Molecular Weight328.14 g/mol
Exact Mass327.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C12H11BrFN3O2/c1-17-11(4-5-15-17)16-12(18)7-19-10-3-2-8(14)6-9(10)13/h2-6H,7H2,1H3,(H,16,18)
InChIKeyFIZICPOEMKZLNR-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide (CID 47091379) is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide is Cn1nccc1NC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is FIZICPOEMKZLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2/c1-17-11(4-5-15-17)16-12(18)7-19-10-3-2-8(14)6-9(10)13/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 328.14 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 47091379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).