N-(4-methoxyphenyl)-2-(methylamino)benzamide , CAS No.1029-08-9

CAS: 1029-08-9 Cat. No.: N1022248 Molecular Weight: 256.300

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CNC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC
• IUPAC Name: N-(4-methoxyphenyl)-2-(methylamino)benzamide
• InChIKey: ZYHZFRUUEAWJIS-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O2/c1-16-14-6-4-3-5-13(14)15(18)17-11-7-9-12(19-2)10-8-11/h3-10,16H,1-2H3,(H,17,18)
• Molecular Weight: 256.300

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: Anthranilamides Aminobenzoic acids and derivatives Methoxyanilines Phenylalkylamines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Secondary alkylarylamines Alkyl aryl ethers Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Aminobenzoic acid or derivatives - Anthranilamide - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Methoxybenzene - Anisole - Phenoxy compound - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Ether - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 256.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 256.121 Da
• Monoisotopic Mass: 256.121 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 288.000
• 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