N-(4-chlorophenyl)-2-ethoxynicotinamide - ≥90% , CAS No.388571-73-1

CAS: 388571-73-1 Cat. No.: N1242020 Summenformel: C₁₄H₁₃ClN₂O₂ Molekulargewicht: 276.72 PubChem CID: 3244482

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥90%

Namen und Kennungen

Kanonisches Lächeln

CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)Cl

IUPAC Name

N-(4-chlorophenyl)-2-ethoxypyridine-3-carboxamide

InChIKey

UGHPSTDSGHWFOC-UHFFFAOYSA-N

INCHI

1S/C14H13ClN2O2/c1-2-19-14-12(4-3-9-16-14)13(18)17-11-7-5-10(15)6-8-11/h3-9H,2H2,1H3,(H,17,18)

Isomere SMILES

CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)Cl

PubChem CID

3244482

Molekulargewicht

276.72

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Nicotinamides Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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: 276.720 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.067 Da
• Monoisotopic Mass: 276.067 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 293.000
• 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