N-(1-bromo-8-chloroisoquinolin-3-yl)acetamide

HCID 59636331

Notes Reactions

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Basic information

Standard SMILES: CC(=O)Nc1cc2cccc(Cl)c2c(Br)n1
InChIKey: DGQGIZSKWOIMTP-UHFFFAOYSA-N
Molecular formula: C11H8BrClN2O
Average molar mass: 299.55 g/mol

Names & identifiers

Preferred name: N-(1-bromo-8-chloroisoquinolin-3-yl)acetamide
IUPAC: N-(1-bromo-8-chloroisoquinolin-3-yl)acetamide

Names & synonyms

N-(1-bromo-8-chloroisoquinolin-3-yl)acetamide1184843-25-1SCHEMBL1397035DGQGIZSKWOIMTP-UHFFFAOYSA-NDB-403043N-(1-Bromo-8-chloro-3-isoquinolinyl)acetamide

Database identifiers

PubChem CID: 59636331

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 277

Related reactions

2 records

New reaction record

HRID 40661As productuspto-grants-2013_09

HRID 40662As reactantuspto-grants-2013_09

Compound notes

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