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

C9H10Cl2N2O — CID 3120

IUPAC3-(3,4-dichlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyXMTQQYYKAHVGBJ-UHFFFAOYSA-N
MW233.10 g/mol
LogP3.09
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-1,1-dimethylurea (PubChem CID 3120) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,1-dimethylurea
PubChem CID3120
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name3-(3,4-dichlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyXMTQQYYKAHVGBJ-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,1-dimethylurea (CID 3120) is 3-(3,4-dichlorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,1-dimethylurea?
The InChIKey is XMTQQYYKAHVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(3,4-dichlorophenyl)-1,1-dimethylurea?
3-(3,4-dichlorophenyl)-1,1-dimethylurea has a molecular weight of 233.10 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 3120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).