2-hydroxy-N-(2-nitrophenyl)benzamide , CAS No.37183-26-9

CAS: 37183-26-9 Cat. No.: H668724 Molecular Weight: 258.23

Synonyms

2-hydroxy-N-(2-nitrophenyl)benzamide | Oprea1_075981 | 2'-NO2 SALICYLANILIDE | DTXSID90877102 | BDBM50412646 | CCG-56036 | STK388349 | AKOS000400309 | 37183-26-9 | EU-0000274 | SR-01000390474 | SR-01000390474-1 | SR-01000390474-2

Storage

Room temperature

Specifications

Synonyms

2-hydroxy-N-(2-nitrophenyl)benzamide | Oprea1_075981 | 2'-NO2 SALICYLANILIDE | DTXSID90877102 | BDBM50412646 | CCG-56036 | STK388349 | AKOS000400309 | 37183-26-9 | EU-0000274 | SR-01000390474 | SR-01000390474-1 | SR-01000390474-2

Storage

Room temperature

Product Properties

• ALogP: 3.7

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])O
• IUPAC Name: 2-hydroxy-N-(2-nitrophenyl)benzamide
• InChIKey: BOGCXDSQUVFRGC-UHFFFAOYSA-N
• INCHI: 1S/C13H10N2O4/c16-12-8-4-1-5-9(12)13(17)14-10-6-2-3-7-11(10)15(18)19/h1-8,16H,(H,14,17)
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])O
• Molecular Weight: 258.23
• Reaxy-Rn: 2143124
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2143124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Salicylamides Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Salicylamide - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Associated Targets(Human)

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (1 Activities)

Discover Target: KCNMA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 258.230 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.064 Da
• Monoisotopic Mass: 258.064 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 342.000
• 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