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CHEBI:87541 - cyhalodiamide

ChEBI IDCHEBI:87541
ChEBI Namecyhalodiamide
Stars
DefinitionA dicarboxylic acid diamide obtained by formal condensation of the two carboxy groups of 2-chlorophthalic acid with the amino groups of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline and 2-amino-2-methylpropanenitrile.
Last Modified18 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H17ClF7N3O2
Net Charge0
Average Mass523.836
Monoisotopic Mass523.08975
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(Cl)c1C(=O)NC(C)(C)C#N
InChIInChI=1S/C22H17ClF7N3O2/c1-11-9-12(20(24,21(25,26)27)22(28,29)30)7-8-15(11)32-17(34)13-5-4-6-14(23)16(13)18(35)33-19(2,3)10-31/h4-9H,1-3H3,(H,32,34)(H,33,35)
InChIKeyNNRSYETYEADPBW-UHFFFAOYSA-N
Roles Classification
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
cyhalodiamide (CHEBI:87541) has functional parent phthalic acid (CHEBI:29069)
cyhalodiamide (CHEBI:87541) has role agrochemical (CHEBI:33286)
cyhalodiamide (CHEBI:87541) has role insecticide (CHEBI:24852)
cyhalodiamide (CHEBI:87541) is a aromatic amide (CHEBI:62733)
cyhalodiamide (CHEBI:87541) is a dicarboxylic acid diamide (CHEBI:35779)
cyhalodiamide (CHEBI:87541) is a monochlorobenzenes (CHEBI:83403)
cyhalodiamide (CHEBI:87541) is a nitrile (CHEBI:18379)
cyhalodiamide (CHEBI:87541) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
3-chloro-N2-(2-cyanopropan-2-yl)-N1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]benzene-1,2-dicarboxamide
Synonyms  Source
3-chloro-N'-(1-cyano-1-methylethyl)-N-{4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-o-tolyl}phthalamideAlan Wood's Pesticides
lüfuqingchongxiananChEBI
Manual XrefsDatabases
cyhalodiamideAlan Wood's Pesticides
Registry NumbersSources
Reaxys:27458446Reaxys