N-Benzyl 4-bromobenzamide - ≥97% , CAS No.80311-89-3

CAS: 80311-89-3 Cat. No.: N186694 Peso molecular: 290.2

GRADE & PURITY ≥97%

Synonyms

A864706 | SY317069 | Cambridge id 5214056 | D97526 | AS-58472 | SMR000285612 | DTXSID60354758 | MLS000692855 | SCHEMBL8042301 | n-benzyl-4-bromobenzamide | HMS2644G23 | AKOS000186162 | MFCD00443890 | N-BENZYL 4-BROMOBENZAMIDE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A864706 | SY317069 | Cambridge id 5214056 | D97526 | AS-58472 | SMR000285612 | DTXSID60354758 | MLS000692855 | SCHEMBL8042301 | n-benzyl-4-bromobenzamide | HMS2644G23 | AKOS000186162 | MFCD00443890 | N-BENZYL 4-BROMOBENZAMIDE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191470
• Sonrisas canónicas: C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Br
• IUPAC Name: N-benzyl-4-bromobenzamide
• InChIKey: RLXPLHLLCIBNAN-UHFFFAOYSA-N
• INCHI: 1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
• Isómeros SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Br
• Peso molecular: 290.2
• Reaxy-Rn: 5020413
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5020413&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: 4-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzylbenzamide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 290.150 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 289.01 Da
• Monoisotopic Mass: 289.01 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 243.000
• 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