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

C10H13ClN2O — CID 27375

IUPAC3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
SMILESCc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyJXCGFZXSOMJFOA-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.74
Rot. Bonds1

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

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea (PubChem CID 27375) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
PubChem CID27375
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
SMILESCc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyJXCGFZXSOMJFOA-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

Analyze 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea (CID 27375) is 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is Cc1ccc(NC(=O)N(C)C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?
The InChIKey is JXCGFZXSOMJFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?
3-(3-chloro-4-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-(3-chloro-4-methylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 27375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).