3-(2,6-dibromophenyl)-1-ethyl-1-methylurea

C10H12Br2N2O — CID 103867576

IUPAC3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C10H12Br2N2O/c1-3-14(2)10(15)13-9-7(11)5-4-6-8(9)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeySOOQFAJAMMTZSS-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.70
Rot. Bonds2

About 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea

3-(2,6-dibromophenyl)-1-ethyl-1-methylurea (PubChem CID 103867576) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
PubChem CID103867576
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C10H12Br2N2O/c1-3-14(2)10(15)13-9-7(11)5-4-6-8(9)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeySOOQFAJAMMTZSS-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160439
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CID 63113132
N-(2,6-dibromophenyl)propanamide
CID 103863189
3-(2-bromo-6-fluorophenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 84598697
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
2-bromo-N-ethyl-N,6-dimethylbenzamide
CID 130664662
3-bromo-2-[[butyl(ethyl)carbamoyl]amino]benzoic acid
CID 63113130
3-bromo-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid
CID 63113712
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea (CID 103867576) is 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea?
The InChIKey is SOOQFAJAMMTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-3-14(2)10(15)13-9-7(11)5-4-6-8(9)12/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea?
3-(2,6-dibromophenyl)-1-ethyl-1-methylurea has a molecular weight of 336.03 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 103867576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).