N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide , CAS No.329939-23-3

CAS: 329939-23-3 Cat. No.: N988062 Peso molecular: 262.220 Número EC: 169-467-7

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2
• IUPAC Name: N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide
• InChIKey: WOPZPUPZCZSCPU-UHFFFAOYSA-N
• INCHI: 1S/C12H10N2O5/c1-18-10-5-4-8(14(16)17)7-9(10)13-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,13,15)
• Peso molecular: 262.220

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: Nitrophenyl ethers Methoxyanilines 2-heteroaryl carboxamides Phenoxy compounds Anisoles Furoic acid and derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - Nitrophenyl ether - Methoxyaniline - Nitrobenzene - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Furan - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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

Propiedades químicas y físicas

• Peso molecular: 262.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 262.059 Da
• Monoisotopic Mass: 262.059 Da
• Topological Polar Surface Area: 97.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 344.000
• 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