Monomethyldiuron

C8H8Cl2N2O — CID 19113

IUPAC1-(3,4-dichlorophenyl)-3-methylurea
SMILESCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChIInChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyIDQHRQQSSQDLTR-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.90
Rot. Bonds1

About Monomethyldiuron

Monomethyldiuron (PubChem CID 19113) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.06 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methylurea.

Molecular Properties

Compound NameMonomethyldiuron
PubChem CID19113
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.06 g/mol
Exact Mass218.00
IUPAC Name1-(3,4-dichlorophenyl)-3-methylurea
SMILESCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChIInChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyIDQHRQQSSQDLTR-UHFFFAOYSA-N
XLogP2.90
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity189

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze Monomethyldiuron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diuron
CID 3120
Propanil
CID 4933
Linuron
CID 9502
Triclocarban
CID 7547
Monuron
CID 8800
Monolinuron
CID 15629
methyl N-(3,4-dichlorophenyl)carbamate
CID 15969
Urea, (3,4-dichlorophenyl)-
CID 16854
4-Chlorophenylurea
CID 8796
Methazole
CID 4690
Monomethylmonuron
CID 79309
Neburon
CID 11145

Frequently Asked Questions

What is the IUPAC name of Monomethyldiuron?
The IUPAC name of Monomethyldiuron (CID 19113) is 1-(3,4-dichlorophenyl)-3-methylurea.
What is the SMILES notation for Monomethyldiuron?
The canonical SMILES for Monomethyldiuron is CNC(=O)NC1=CC(=C(C=C1)Cl)Cl.
What is the InChIKey of Monomethyldiuron?
The InChIKey is IDQHRQQSSQDLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13).
What are the key properties of Monomethyldiuron?
Monomethyldiuron has a molecular weight of 219.06 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Monomethyldiuron is sourced from PubChem (CID 19113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).