2-(2,6-dibromophenoxy)-N-methylacetamide

C9H9Br2NO2 — CID 47081894

IUPAC2-(2,6-dibromophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cccc1Br
InChIInChI=1S/C9H9Br2NO2/c1-12-8(13)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyMKFIWAREWNEYJK-UHFFFAOYSA-N
MW322.98 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,6-dibromophenoxy)-N-methylacetamide

2-(2,6-dibromophenoxy)-N-methylacetamide (PubChem CID 47081894) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-N-methylacetamide
PubChem CID47081894
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name2-(2,6-dibromophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cccc1Br
InChIInChI=1S/C9H9Br2NO2/c1-12-8(13)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyMKFIWAREWNEYJK-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-N-methylacetamide?
The IUPAC name of 2-(2,6-dibromophenoxy)-N-methylacetamide (CID 47081894) is 2-(2,6-dibromophenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-N-methylacetamide?
The canonical SMILES for 2-(2,6-dibromophenoxy)-N-methylacetamide is CNC(=O)COc1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromophenoxy)-N-methylacetamide?
The InChIKey is MKFIWAREWNEYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-12-8(13)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2,6-dibromophenoxy)-N-methylacetamide?
2-(2,6-dibromophenoxy)-N-methylacetamide has a molecular weight of 322.98 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-N-methylacetamide is sourced from PubChem (CID 47081894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).