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CHEBI:138738 - 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one

ChEBI IDCHEBI:138738
ChEBI Name5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
Stars
ASCII Name5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
DefinitionA member of the class of furans that is furan-3(2H)-one which is substituted at positions 2, 4, and 5 by phenyl, m-(trifluoromethyl)phenyl, and methylamino groups, respectively.
Last Modified19 October 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H14F3NO2
Net Charge0
Average Mass333.309
Monoisotopic Mass333.09766
SMILESCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
InChIKeyNYRMIJKDBAQCHC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738) is a (trifluoromethyl)benzenes (CHEBI:83565)
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738) is a cyclic ketone (CHEBI:3992)
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738) is a furans (CHEBI:24129)
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-flurtamone (CHEBI:138739) is a 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738)
(S)-flurtamone (CHEBI:138740) is a 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738)
IUPAC Name 
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
Manual XrefsDatabases
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