1-{4-acetyl-1-[4-(2-fluoro-ethoxy)-2-methyl-phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-ethanone
Basic information
- Standard SMILES
CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(OCCF)cc2C)c1C- InChIKey
AHVPKXCADAKLEK-UHFFFAOYSA-N- Molecular formula
- C19H22FNO3
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 1-{4-acetyl-1-[4-(2-fluoro-ethoxy)-2-methyl-phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-ethanone
- IUPAC
- 1-[4-acetyl-1-[4-(2-fluoroethoxy)-2-methylphenyl]-2,5-dimethylpyrrol-3-yl]ethanone
Names & synonyms
SCHEMBL5001206AHVPKXCADAKLEK-UHFFFAOYSA-N1-{4-acetyl-1-[4-(2-fluoro-ethoxy)-2-methyl-phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-ethanone
Database identifiers
- PubChem CID
- 86606405
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
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Related reactions
1 records
Compound notes
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