Basic information
- Standard SMILES
COC(=O)c1cc(NC(=O)C(C)C)cc(-c2ccc(C)cn2)c1F- InChIKey
AAAQDOGQGFMJGC-UHFFFAOYSA-N- Molecular formula
- C18H19FN2O3
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 2-Fluoro-5-isobutyrylamino-3-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester
- IUPAC
- methyl 2-fluoro-5-(2-methylpropanoylamino)-3-(5-methyl-2-pyridinyl)benzoate
Names & synonyms
SCHEMBL356952AAAQDOGQGFMJGC-UHFFFAOYSA-N2-fluoro-5-isobutyrylamino-3-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 66664233
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
5 records
Compound notes
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