3-(4-chloro-2-methylphenyl)-1,1-dimethylurea

C10H13ClN2O — CID 551912

IUPAC3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
SMILESCc1cc(Cl)ccc1NC(=O)N(C)C
InChIInChI=1S/C10H13ClN2O/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyZBRVGSVMRNBIQO-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.74
Rot. Bonds1

About 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea

3-(4-chloro-2-methylphenyl)-1,1-dimethylurea (PubChem CID 551912) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
PubChem CID551912
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
SMILESCc1cc(Cl)ccc1NC(=O)N(C)C
InChIInChI=1S/C10H13ClN2O/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyZBRVGSVMRNBIQO-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea (CID 551912) is 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea is Cc1cc(Cl)ccc1NC(=O)N(C)C.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea?
The InChIKey is ZBRVGSVMRNBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14).
What are the key properties of 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea?
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea has a molecular weight of 212.68 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 551912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).