VU0366248 , CAS No.1243310-20-4

CAS: 1243310-20-4 Cat. No.: V1433146 Molecular Weight: 292.67 PubChem CID: 49862595

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

VU0366248 is a mGlu5 negative allosteric modulator.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1)Cl)F)NC(=O)C2=CC(=CC(=C2)C#N)F
• IUPAC Name: N-(3-chloro-2-fluorophenyl)-3-cyano-5-fluorobenzamide
• InChIKey: QDFPSPIHFOODSP-UHFFFAOYSA-N
• INCHI: 1S/C14H7ClF2N2O/c15-11-2-1-3-12(13(11)17)19-14(20)9-4-8(7-18)5-10(16)6-9/h1-6H,(H,19,20)
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)F)NC(=O)C2=CC(=CC(=C2)C#N)F
• PubChem CID: 49862595
• Molecular Weight: 292.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Benzonitriles Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Secondary carboxylic acid amides Nitriles Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Chlorobenzene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Aryl chloride - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Nitrile - Carbonitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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.

DOI: 10.1186/s13321-016-0174-y