CHEBI:87541 - cyhalodiamide

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ChEBI Name cyhalodiamide
ChEBI ID CHEBI:87541
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H17ClF7N3O2
Net Charge 0
Average Mass 523.83100
Monoisotopic Mass 523.08975
InChI InChI=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)
InChIKey NNRSYETYEADPBW-UHFFFAOYSA-N
SMILES Cc1cc(ccc1NC(=O)c1cccc(Cl)c1C(=O)NC(C)(C)C#N)C(F)(C(F)(F)F)C(F)(F)F
Roles Classification
Application(s): 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.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing 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 Sources
3-chloro-N'-(1-cyano-1-methylethyl)-N-{4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-o-tolyl}phthalamide Alan Wood's Pesticides
lüfuqingchongxianan ChEBI
Manual Xref Database
cyhalodiamide Alan Wood's Pesticides
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Registry Number Type Source
27458446 Reaxys Registry Number Reaxys
Last Modified
18 August 2015