N-(3,4-Dichlorophenyl)-1-naphthamide , CAS No.413614-00-3

CAS: 413614-00-3 Cat. No.: N955081 Summenformel: C₁₇H₁₁Cl₂NO Molekulargewicht: 316.200 EG-Nummer: 632-708-6

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC(=C(C=C3)Cl)Cl

IUPAC Name

N-(3,4-dichlorophenyl)naphthalene-1-carboxamide

InChIKey

SBBVWDKWWMBYJA-UHFFFAOYSA-N

INCHI

1S/C17H11Cl2NO/c18-15-9-8-12(10-16(15)19)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)

Molekulargewicht

316.200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives
        • Ebene5 Naphthalenecarboxamides
          • Ebene6 Naphthalene-1-carboxanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Naphthalenecarboxamides
• Direct Parent: Naphthalene-1-carboxanilides
• Alternative Parents: Aromatic anilides Dichlorobenzenes Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene-1-carboxanilide - Aromatic anilide - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalene-1-carboxanilides. These are naphthalene-1-carboxamides, where the carboxamide group is substituted with an aniline.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 316.200 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 315.022 Da
• Monoisotopic Mass: 315.022 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 376.000
• 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