3-(3-chlorophenyl)-1,1-dimethylurea

C9H11ClN2O — CID 11480

IUPAC3-(3-chlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyQLQDWOFJALEHSP-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.43
Rot. Bonds1

About 3-(3-chlorophenyl)-1,1-dimethylurea

3-(3-chlorophenyl)-1,1-dimethylurea (PubChem CID 11480) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,1-dimethylurea
PubChem CID11480
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-(3-chlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyQLQDWOFJALEHSP-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-chlorophenyl)-1,1-dimethylurea (CID 11480) is 3-(3-chlorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-chlorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1,1-dimethylurea?
The InChIKey is QLQDWOFJALEHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-(3-chlorophenyl)-1,1-dimethylurea?
3-(3-chlorophenyl)-1,1-dimethylurea has a molecular weight of 198.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 11480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).