3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea

C9H9BrCl2N2O — CID 116654094

IUPAC3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2N2O/c1-14(2)9(15)13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3,(H,13,15)
InChIKeyWTOAFUYWFKTQNT-UHFFFAOYSA-N
MW311.99 g/mol
LogP3.85
Rot. Bonds1

About 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea

3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea (PubChem CID 116654094) has the molecular formula C9H9BrCl2N2O and a molecular weight of 311.99 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
PubChem CID116654094
Molecular FormulaC9H9BrCl2N2O
Molecular Weight311.99 g/mol
Exact Mass309.93
IUPAC Name3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2N2O/c1-14(2)9(15)13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3,(H,13,15)
InChIKeyWTOAFUYWFKTQNT-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.99
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromo-2,6-dichlorophenyl)-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

Related Compounds

N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359
1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
CID 115571566
(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
CID 28993455
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
CID 62671003
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
4-(4-bromo-2,6-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302251
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea (CID 116654094) is 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea?
The InChIKey is WTOAFUYWFKTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2O/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 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea?
3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea has a molecular weight of 311.99 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 116654094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).