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N-Benzylfuran-2-carboxamide - ≥95%, high purity , CAS No.10354-48-0
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Furoic acid and derivatives Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Furoic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-benzylfuran-2-carboxamide
INCHI
InChI=1S/C12H11NO2/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)
InChIKey
SYUWFNHEYUYCHX-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CNC(=O)C2=CC=CO2
Isomeric SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CO2
PubChem CID
347531
Molecular Weight
201.22
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
201.220 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
201.079 Da
Monoisotopic Mass
201.079 Da
Topological Polar Surface Area
42.200 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
212.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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