4-(2,4-dichlorophenoxy)-N-(4-fluorophenyl)butanamide , CAS No.303091-85-2

CAS: 303091-85-2 Cat. No.: D1254079 Formula: C₁₆H₁₄Cl₂FNO₂ Peso molecolare: 342.2 PubChem CID: 1719851

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)F

IUPAC Name

4-(2,4-dichlorophenoxy)-N-(4-fluorophenyl)butanamide

InChIKey

XZGLRWOUJCXTDZ-UHFFFAOYSA-N

INCHI

1S/C16H14Cl2FNO2/c17-11-3-8-15(14(18)10-11)22-9-1-2-16(21)20-13-6-4-12(19)5-7-13/h3-8,10H,1-2,9H2,(H,20,21)

Isomeri SMILES

C1=CC(=CC=C1NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)F

PubChem CID

1719851

Peso molecolare

342.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Dichlorobenzenes N-arylamides Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl chlorides Fatty amides Aryl fluorides Secondary carboxylic acid amides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Phenoxy compound - N-arylamide - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 342.200 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 341.039 Da
• Monoisotopic Mass: 341.039 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 351.000
• 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