Basic information
- Standard SMILES
CCc1ccc(C(=O)c2ccc(F)cc2)n1N- InChIKey
LHOJYSWTNKDGKS-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O
- Average molar mass
- 232.25 g/mol
- Monoisotopic mass
- 232.1011912
Names & identifiers
- Preferred name
- (1-amino-5-ethyl-1H-pyrrol-2-yl)(4-fluorophenyl)methanone
- IUPAC
- (1-amino-5-ethylpyrrol-2-yl)-(4-fluorophenyl)methanone
Names & synonyms
SCHEMBL5101312LHOJYSWTNKDGKS-UHFFFAOYSA-N(1-amino-5-ethyl-1H-pyrrol-2-yl)(4-fluorophenyl)methanone
Database identifiers
- PubChem CID
- 69311541
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
2 records
Compound notes
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