2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide

C13H15BrFNO3 — CID 84600632

IUPAC2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide
SMILESCC(=O)c1cc(Br)cc(F)c1OCC(=O)NC(C)C
InChIInChI=1S/C13H15BrFNO3/c1-7(2)16-12(18)6-19-13-10(8(3)17)4-9(14)5-11(13)15/h4-5,7H,6H2,1-3H3,(H,16,18)
InChIKeyBBLIXSARPSGODO-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide

2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide (PubChem CID 84600632) has the molecular formula C13H15BrFNO3 and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide
PubChem CID84600632
Molecular FormulaC13H15BrFNO3
Molecular Weight332.17 g/mol
Exact Mass331.02
IUPAC Name2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide
SMILESCC(=O)c1cc(Br)cc(F)c1OCC(=O)NC(C)C
InChIInChI=1S/C13H15BrFNO3/c1-7(2)16-12(18)6-19-13-10(8(3)17)4-9(14)5-11(13)15/h4-5,7H,6H2,1-3H3,(H,16,18)
InChIKeyBBLIXSARPSGODO-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide (CID 84600632) is 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide is CC(=O)c1cc(Br)cc(F)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is BBLIXSARPSGODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO3/c1-7(2)16-12(18)6-19-13-10(8(3)17)4-9(14)5-11(13)15/h4-5,7H,6H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide?
2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 332.17 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 84600632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).