ChemFOnt: Showing chemical card for Diflubenzuron (CFc000012956)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:01:11 UTC

Chemfont ID

CFc000012956

Molecule Identification

Common Name

Diflubenzuron

Definition

Insecticide, interfering with chitin deposition by oral absorption. Diflubenzuron is used on soya beans, citrus, tea, vegetables and mushrooms. Also used as an insecticide in feed for poultry and pigs and as a controlled release bolus in cattl

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea	ChEBI
1-(p-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea	ChEBI
Difluron	ChEBI
N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide	ChEBI
N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide	ChEBI
1-(p-Chlorophenyl)-3-(2,6-difluorobenzoyl)-urea	HMDB
Astonex	HMDB
Dimilin	HMDB
Dimilin g1	HMDB
Dimilin g4	HMDB
Dimilin ODC-45	HMDB
Dimilin wp-25	HMDB
Dioflubenzuron	HMDB
Duphacid	HMDB
Larvakil	HMDB
Micromite	HMDB
N-(((4-Chlorophenyl)amino)carbonyl)-2,6-difluorobenzamide	HMDB
N-(4-Chlorophenyl)-n'-(2,6-difluorobenzoyl)urea	HMDB
N-[(4-Chlorophenyl)carbamoyl]-2,6-difluorobenzamide	HMDB
N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide, 9ci	HMDB
N-[[(4-Chlorophenyl)amno]carbonyl]-2,6-difluorobenzamide	HMDB
Philips-duphar PH 60-40	HMDB
Thompson hayward 6040	HMDB
Thompson-hayward 6040	HMDB
Thompson-hayward TH6040	HMDB

Chemical Formula

C₁₄H₉ClF₂N₂O₂

Average Molecular Weight

310.683

Monoisotopic Molecular Weight

310.032061659

IUPAC Name

3-(4-chlorophenyl)-1-(2,6-difluorobenzoyl)urea

Traditional Name

3-(4-chlorophenyl)-1-(2,6-difluorobenzoyl)urea

CAS Registry Number

35367-38-5

SMILES

FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1

InChI Identifier

InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

InChI Key

QQQYTWIFVNKMRW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-benzoyl-n'-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

N-phenylureas

Direct Parent

N-benzoyl-N'-phenylureas

Alternative Parents

Substituents

N-benzoyl-n'-phenylurea
Halobenzoic acid or derivatives
2-halobenzoic acid or derivatives
Benzoic acid or derivatives
Benzoyl
Chlorobenzene
Fluorobenzene
Halobenzene
Aryl chloride
Aryl fluoride
Aryl halide
Vinylogous halide
Urea
Carbonic acid derivative
Carboxylic acid derivative
Organic nitrogen compound
Organohalogen compound
Organochloride
Organofluoride
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monochlorobenzenes (CHEBI:34703 )
benzoylurea insecticide (CHEBI:34703 )
Pesticides (C14427 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0031778)
Cell membrane (HMDB: HMDB0031778)

Source

Endogenous

Endogenous (HMDB: HMDB0031778)

Exogenous

Food

Food (HMDB: HMDB0031778)

Exogenous (HMDB: HMDB0031778)

Process

Not Available

Role

Environmental role

Air pollutant (HMDB: HMDB0031778)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.006 g/L	ALOGPS
logP	3.93	ALOGPS
logP	3.61	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	9.05	ChemAxon
pKa (Strongest Basic)	-8.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	58.2 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	75.07 m³·mol⁻¹	ChemAxon
Polarizability	27.85 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon