Basic information
- Standard SMILES
Cc1cc(C(=O)O)c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1- InChIKey
BPVXTQOTIJLDKF-YBEGLDIGSA-N- Molecular formula
- C21H15FN2O3
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z) ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2-[(Z)-[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid
Names & synonyms
SCHEMBL6319360BPVXTQOTIJLDKF-YBEGLDIGSA-N2-[4-(3-Fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3-Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid2-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z) ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid2-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)- ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid2-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid
Database identifiers
- PubChem CID
- 69740587
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 637
Related reactions
16 records
Compound notes
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