1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea

C9H9Cl3N2O — CID 3042578

IUPAC1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea
SMILESCN(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3,(H,13,15)
InChIKeyOALYUGQHXIWDRN-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.74
Rot. Bonds1

About 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea

1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea (PubChem CID 3042578) has the molecular formula C9H9Cl3N2O and a molecular weight of 267.54 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea
PubChem CID3042578
Molecular FormulaC9H9Cl3N2O
Molecular Weight267.54 g/mol
Exact Mass265.98
IUPAC Name1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea
SMILESCN(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3,(H,13,15)
InChIKeyOALYUGQHXIWDRN-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea 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 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea?
The IUPAC name of 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea (CID 3042578) is 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea is CN(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea?
The InChIKey is OALYUGQHXIWDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea?
1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea has a molecular weight of 267.54 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea is sourced from PubChem (CID 3042578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).