Basic information
- Standard SMILES
O=C(Nc1cc(-c2ccc3c(c2)OCO3)ccc1C(=O)O)c1ccc(F)cc1- InChIKey
BTAUCKFIAWURCV-UHFFFAOYSA-N- Molecular formula
- C21H14FNO5
- Average molar mass
- 379.3 g/mol
Names & identifiers
- Preferred name
- 4-(Benzo[1,3]dioxol-5-yl)-2-(4-fluorobenzamido)benzoic acid
- IUPAC
- 4-(1,3-benzodioxol-5-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
Names & synonyms
SCHEMBL2272852BTAUCKFIAWURCV-UHFFFAOYSA-N4-(benzo[1,3]dioxol-5-yl)-2-(4-fluorobenzamido)benzoic acid
Database identifiers
- PubChem CID
- 57879591
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
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