N'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide , CAS No.1298023-69-4

CAS: 1298023-69-4 Cat. No.: N946778 Peso molecular: 340.800

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCNC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)O
• IUPAC Name: N'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide
• InChIKey: VATFNKWOWBWJKB-UHFFFAOYSA-N
• INCHI: 1S/C17H25ClN2O3/c1-2-3-4-5-6-7-10-19-16(22)12-17(23)20-14-11-13(18)8-9-15(14)21/h8-9,11,21H,2-7,10,12H2,1H3,(H,19,22)(H,20,23)
• Peso molecular: 340.800

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: P-chlorophenols N-arylamides Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - 4-halophenol - 4-chlorophenol - N-arylamide - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - 1,3-dicarbonyl compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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: 340.800 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 340.155 Da
• Monoisotopic Mass: 340.155 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 366.000
• 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