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5'-(3-Furoylamino)-2'-methyl-1,1'-biphenyl-4-carboxylic acid

HCID 69152146
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)O)cc1
InChIKey
FDKHPDUHGLIRRD-UHFFFAOYSA-N
Molecular formula
C19H15NO4
Average molar mass
321.3 g/mol
Monoisotopic mass
321.10010796

Names & identifiers

Preferred name
5'-(3-Furoylamino)-2'-methyl-1,1'-biphenyl-4-carboxylic acid
IUPAC
4-[5-(furan-3-carbonylamino)-2-methylphenyl]benzoic acid

Names & synonyms

SCHEMBL4701504FDKHPDUHGLIRRD-UHFFFAOYSA-N5'-(3furoylamino)-2'-methyl-1,1'-biphenyl-4-carboxylic acid5'-(3-Furoylamino)-2'-methyl-1,1'-biphenyl-4-carboxylic acid

Database identifiers

PubChem CID
69152146

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
79.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
458

Related reactions

27 records
New reaction record
HRID 146104 reaction equation
HRID 146104As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 152414 reaction equation
HRID 152414As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 175189 reaction equation
HRID 175189As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 859798 reaction equation
HRID 859798As reactantuspto-grants-2006_12
HRID 859800 reaction equation
HRID 859800As reactantuspto-grants-2006_12
HRID 859802 reaction equation
HRID 859802As reactantuspto-grants-2006_12
HRID 859803 reaction equation
HRID 859803As reactantuspto-grants-2006_12
HRID 859804 reaction equation
HRID 859804As reactantuspto-grants-2006_12
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Compound notes

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