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Basic information
- Standard SMILES
NC(=O)Cc1nc(Cl)cc2ccccc12- InChIKey
NBBOYSRWZDDKHM-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-isoquinolin-1-yl)acetamide
- IUPAC
- 2-(3-chloroisoquinolin-1-yl)acetamide
Names & synonyms
SCHEMBL2990475NBBOYSRWZDDKHM-UHFFFAOYSA-N2-(3-chloro-isoquinolin-1-yl)acetamide2-(3-chloro-isoquinolin-1-yl)-acetamide
Database identifiers
- PubChem CID
- 18770852
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
3 records
Compound notes
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