2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide

C11H12BrNO3 — CID 82124362

IUPAC2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C11H12BrNO3/c1-3-13-11(15)10(14)8-6-7(12)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyJHHWAIZFARDUQI-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.78
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide

2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide (PubChem CID 82124362) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
PubChem CID82124362
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C11H12BrNO3/c1-3-13-11(15)10(14)8-6-7(12)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyJHHWAIZFARDUQI-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-one
CID 43161797
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
N-butyl-2-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 94268084
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
CID 175415632
1-(5-bromo-2-methoxyphenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 50850566
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide (CID 82124362) is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide is CCNC(=O)C(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide?
The InChIKey is JHHWAIZFARDUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-3-13-11(15)10(14)8-6-7(12)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide?
2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide has a molecular weight of 286.12 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 82124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).