VU0366248 , CAS No.1243310-20-4

CAS: 1243310-20-4 Cat. No.: V1433146 分子式: C₁₄H₇ClF₂N₂O 分子量: 292.67 PubChem CID: 49862595

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

VU0366248 is a mGlu5 negative allosteric modulator.

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• カノニカル・スマイル: 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)
• 異性体SMILES: C1=CC(=C(C(=C1)Cl)F)NC(=O)C2=CC(=CC(=C2)C#N)F
• PubChem CID: 49862595
• 分子量: 292.67

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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