N-[2-(3-Bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
Basic information
- CAS
686319-38-0- Standard SMILES
COc1ccc2cc(Br)cc(CCNC(C)=O)c2c1- InChIKey
DALDAAWMVJDLJA-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO2
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.03644
Names & identifiers
- Preferred name
- N-[2-(3-Bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
- IUPAC
- N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
Names & synonyms
N-[2-(3-Bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide686319-38-0N-(2-(3-Bromo-7-methoxynaphthalen-1-yl)ethyl)acetamideSCHEMBL5929491SCHEMBL30449202SCHEMBL30449310DTXSID40514393DALDAAWMVJDLJA-UHFFFAOYSA-Nn-[2-(3-bromo-7-methoxy-1-naphthyl)ethyl]acetamide
Database identifiers
- CAS
686319-38-0- PubChem CID
- 12985488
- DTXSID
DTXSID40514393
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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