1-(3,4-dichlorophenyl)-3-methylurea

C8H8Cl2N2O — CID 19113

IUPAC1-(3,4-dichlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Cl)c(Cl)c1
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
MW219.07 g/mol
LogP2.74
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-3-methylurea

1-(3,4-dichlorophenyl)-3-methylurea (PubChem CID 19113) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methylurea
PubChem CID19113
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name1-(3,4-dichlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Cl)c(Cl)c1
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
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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 1-(3,4-dichlorophenyl)-3-methylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methylurea (CID 19113) is 1-(3,4-dichlorophenyl)-3-methylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methylurea is CNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methylurea?
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 1-(3,4-dichlorophenyl)-3-methylurea?
1-(3,4-dichlorophenyl)-3-methylurea has a molecular weight of 219.07 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methylurea is sourced from PubChem (CID 19113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).