3-(4-chlorophenyl)-1-methoxy-1-methylurea

C9H11ClN2O2 — CID 15629

IUPAC3-(4-chlorophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyLKJPSUCKSLORMF-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.37
Rot. Bonds2

About 3-(4-chlorophenyl)-1-methoxy-1-methylurea

3-(4-chlorophenyl)-1-methoxy-1-methylurea (PubChem CID 15629) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methoxy-1-methylurea
PubChem CID15629
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-(4-chlorophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyLKJPSUCKSLORMF-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-methoxy-1-methylurea (CID 15629) is 3-(4-chlorophenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methoxy-1-methylurea?
The InChIKey is LKJPSUCKSLORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-(4-chlorophenyl)-1-methoxy-1-methylurea?
3-(4-chlorophenyl)-1-methoxy-1-methylurea has a molecular weight of 214.65 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 15629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).