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

C10H10BrNO3 — CID 115166038

IUPACN-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C=O
InChIInChI=1S/C10H10BrNO3/c1-12(10(14)6-13)8-5-7(11)3-4-9(8)15-2/h3-6H,1-2H3
InChIKeyZQMRPJPDTYTVFX-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.62
Rot. Bonds3

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

N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide (PubChem CID 115166038) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
PubChem CID115166038
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC NameN-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C=O
InChIInChI=1S/C10H10BrNO3/c1-12(10(14)6-13)8-5-7(11)3-4-9(8)15-2/h3-6H,1-2H3
InChIKeyZQMRPJPDTYTVFX-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methoxyphenyl)-N-methyl-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

N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
CID 115162399
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163982
N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167730
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
4-(5-bromo-2-methoxy-N-methylanilino)butanoic acid
CID 115218519

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide (CID 115166038) is N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide is COc1ccc(Br)cc1N(C)C(=O)C=O.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is ZQMRPJPDTYTVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-12(10(14)6-13)8-5-7(11)3-4-9(8)15-2/h3-6H,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide?
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 272.10 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).