3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea

C11H15BrN2O — CID 78917161

IUPAC3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-4-14(3)11(15)13-10-6-5-8(2)7-9(10)12/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyVMJZBEZTHOIDOO-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.24
Rot. Bonds2

About 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea

3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea (PubChem CID 78917161) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
PubChem CID78917161
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-4-14(3)11(15)13-10-6-5-8(2)7-9(10)12/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyVMJZBEZTHOIDOO-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea (CID 78917161) is 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea?
The InChIKey is VMJZBEZTHOIDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-4-14(3)11(15)13-10-6-5-8(2)7-9(10)12/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea?
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea has a molecular weight of 271.16 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 78917161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).