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4-Phenyl-2-(6-phenylpyridine-3-carboxamido)benzoic acid

HCID 58508602
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ccccc2)nc1
InChIKey
BYHMSGXGUGFHIR-UHFFFAOYSA-N
Molecular formula
C25H18N2O3
Average molar mass
394.4 g/mol

Names & identifiers

Preferred name
4-Phenyl-2-(6-phenylpyridine-3-carboxamido)benzoic acid
IUPAC
4-phenyl-2-[(6-phenylpyridine-3-carbonyl)amino]benzoic acid

Names & synonyms

SCHEMBL1317654BYHMSGXGUGFHIR-UHFFFAOYSA-N4-phenyl-2-(6-phenylpyridine-3-carboxamido)benzoic acid

Database identifiers

PubChem CID
58508602

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
79.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
583

Related reactions

2 records
New reaction record
HRID 454732 reaction equation
HRID 454732As productuspto-grants-2013_07
HRID 1153092 reaction equation
HRID 1153092As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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