Monuron

C9H11ClN2O — CID 8800

IUPAC3-(4-chlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1=CC=C(C=C1)Cl
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyBMLIZLVNXIYGCK-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.90
Rot. Bonds1

About Monuron

Monuron (PubChem CID 8800) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound NameMonuron
PubChem CID8800
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-(4-chlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1=CC=C(C=C1)Cl
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyBMLIZLVNXIYGCK-UHFFFAOYSA-N
XLogP1.90
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity176

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Triclocarban
CID 7547
Monolinuron
CID 15629
Chlortoluron
CID 27375
Fenuron
CID 7560
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
4-Chlorophenylurea
CID 8796
N-(4-Chlorophenyl)acetamide
CID 10871
Monomethylmonuron
CID 79309
Monuron TCA
CID 8799

Frequently Asked Questions

What is the IUPAC name of Monuron?
The IUPAC name of Monuron (CID 8800) is 3-(4-chlorophenyl)-1,1-dimethylurea.
What is the SMILES notation for Monuron?
The canonical SMILES for Monuron is CN(C)C(=O)NC1=CC=C(C=C1)Cl.
What is the InChIKey of Monuron?
The InChIKey is BMLIZLVNXIYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13).
What are the key properties of Monuron?
Monuron has a molecular weight of 198.65 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Monuron is sourced from PubChem (CID 8800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).