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N-(4-ACETYLPHENYL)-2-FLUOROBENZAMIDE , CAS No.303091-98-7
Basic Description
Synonyms
N-(4-acetylphenyl)-2-fluorobenzamide | 303091-98-7 | Cambridge id 5121984 | CBDivE_001913 | DTXSID10353993 | BBL015678 | MFCD00429853 | STK416461 | AKOS000191582 | VS-04997 | CS-0314139 | AH-357/03368030 | SR-01000412275 | SR-01000412275-1 | Z27699582
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
Alkyl-phenylketones 2-halobenzoic acids and derivatives Benzamides Acetophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzanilide - Alkyl-phenylketone - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Acetophenone - Benzamide - Phenylketone - Benzoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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.
Names and Identifiers
IUPAC Name
N-(4-acetylphenyl)-2-fluorobenzamide
INCHI
InChI=1S/C15H12FNO2/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16/h2-9H,1H3,(H,17,19)
InChIKey
FXNNSGIBOCQSHM-UHFFFAOYSA-N
Smiles
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F
Molecular Weight
257.267
Reaxy-Rn
35453553
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35453553&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
257.260 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
257.085 Da
Monoisotopic Mass
257.085 Da
Topological Polar Surface Area
46.200 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
337.000
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
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