CHEBI:7957 - pencycuron

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ChEBI Name pencycuron
ChEBI ID CHEBI:7957
Definition A member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB6393704, ChemicalBook:CB8874926, eMolecules:502015, ZINC000008681670
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Formula C19H21ClN2O
Net Charge 0
Average Mass 328.83600
Monoisotopic Mass 328.13424
InChI InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
InChIKey OGYFATSSENRIKG-UHFFFAOYSA-N
SMILES Clc1ccc(CN(C2CCCC2)C(=O)Nc2ccccc2)cc1
Roles Classification
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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ChEBI Ontology
Outgoing pencycuron (CHEBI:7957) has functional parent aniline (CHEBI:17296)
pencycuron (CHEBI:7957) has role antifungal agrochemical (CHEBI:86328)
pencycuron (CHEBI:7957) is a monochlorobenzenes (CHEBI:83403)
pencycuron (CHEBI:7957) is a phenylureas (CHEBI:134043)
IUPAC Name
1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea
Synonyms Sources
1-(p-Chlorobenzyl)-1-cyclopentyl-3-phenylurea ChemIDplus
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea NIST Chemistry WebBook
[(Chlorophenyl)-methyl]-N-cyclopentyl-N'-phenylurea NIST Chemistry WebBook
N-((4-Chlorophenyl)methyl)-N-cyclopentyl-N'-phenylurea ChemIDplus
Brand Name Source
Monceren ChemIDplus
Manual Xrefs Databases
510 PPDB
C11012 KEGG COMPOUND
pencycuron Alan Wood's Pesticides
Pencycuron Wikipedia
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Registry Numbers Types Sources
2154416 Reaxys Registry Number Reaxys
66063-05-6 CAS Registry Number ChemIDplus
66063-05-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11405276 PubMed citation Europe PMC
16052708 PubMed citation Europe PMC
16083758 PubMed citation Europe PMC
16187259 PubMed citation Europe PMC
17090495 PubMed citation Europe PMC
19616894 PubMed citation Europe PMC
20088408 PubMed citation Europe PMC
24875866 PubMed citation Europe PMC
24901963 PubMed citation Europe PMC
IND22072683 Agricola citation Europe PMC
Last Modified
10 December 2016