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

C9H8BrNO3 — CID 116924423

IUPAC2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(N)=O)cc1Br
InChIInChI=1S/C9H8BrNO3/c1-14-7-3-2-5(4-6(7)10)8(12)9(11)13/h2-4H,1H3,(H2,11,13)
InChIKeyMQRDCHWWVQVKRJ-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.13
Rot. Bonds3

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

2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide (PubChem CID 116924423) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
PubChem CID116924423
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(N)=O)cc1Br
InChIInChI=1S/C9H8BrNO3/c1-14-7-3-2-5(4-6(7)10)8(12)9(11)13/h2-4H,1H3,(H2,11,13)
InChIKeyMQRDCHWWVQVKRJ-UHFFFAOYSA-N
XLogP1.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 82123910
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
3-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919326
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
CID 9058052

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide (CID 116924423) is 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide is COc1ccc(C(=O)C(N)=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is MQRDCHWWVQVKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c1-14-7-3-2-5(4-6(7)10)8(12)9(11)13/h2-4H,1H3,(H2,11,13).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide?
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 258.07 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 116924423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).