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5-Fluoro-2-(3-naphthalen-2-ylprop-2-enoylamino)benzoic acid (HCID 69895166)|Huagongshe
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Compound
5-Fluoro-2-(3-naphthalen-2-ylprop-2-enoylamino)benzoic acid
HCID
69895166
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
O=C(C=Cc1ccc2ccccc2c1)Nc1ccc(F)cc1C(=O)O
InChIKey
BLWVFPCTDXQRHA-UHFFFAOYSA-N
Molecular formula
C20H14FNO3
Average molar mass
335.3 g/mol
Names & identifiers
Preferred name
5-Fluoro-2-(3-naphthalen-2-ylprop-2-enoylamino)benzoic acid
IUPAC
5-fluoro-2-(3-naphthalen-2-ylprop-2-enoylamino)benzoic acid
Names & synonyms
SCHEMBL6786753
Database identifiers
PubChem CID
69895166
Properties
Computed structural properties
XLogP
4.6
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
521
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
935491
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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