2-chloro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide - ≥95% , CAS No.851398-30-6

CAS: 851398-30-6 Cat. No.: C989787 Peso molecular: 295.800

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)CCl
• IUPAC Name: 2-chloro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
• InChIKey: QTAISFZMPYHCFS-UHFFFAOYSA-N
• INCHI: 1S/C14H14ClNO2S/c1-18-12-6-4-11(5-7-12)16(14(17)9-15)10-13-3-2-8-19-13/h2-8H,9-10H2,1H3
• Peso molecular: 295.800

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: Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Chloroacetamides Heteroaromatic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organopnictogen compounds Organonitrogen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chloroacetamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic 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: 295.800 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 295.043 Da
• Monoisotopic Mass: 295.043 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• 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