2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide

C9H8BrNO3 — CID 89050069

IUPAC2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
SMILESCOc1ccc(CC(=O)N=O)cc1Br
InChIInChI=1S/C9H8BrNO3/c1-14-8-3-2-6(4-7(8)10)5-9(12)11-13/h2-4H,5H2,1H3
InChIKeyJHFXIDCQPOQVQM-UHFFFAOYSA-N
MW258.07 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide

2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide (PubChem CID 89050069) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
PubChem CID89050069
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
SMILESCOc1ccc(CC(=O)N=O)cc1Br
InChIInChI=1S/C9H8BrNO3/c1-14-8-3-2-6(4-7(8)10)5-9(12)11-13/h2-4H,5H2,1H3
InChIKeyJHFXIDCQPOQVQM-UHFFFAOYSA-N
XLogP2.29
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propan-2-one
CID 116553852
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
4-amino-1-(3-bromo-4-methoxyphenyl)-3-methylpentan-2-one
CID 116612395
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide (CID 89050069) is 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide is COc1ccc(CC(=O)N=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide?
The InChIKey is JHFXIDCQPOQVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c1-14-8-3-2-6(4-7(8)10)5-9(12)11-13/h2-4H,5H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide?
2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide has a molecular weight of 258.07 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide is sourced from PubChem (CID 89050069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).