1-cyclobutyl-3-(2,4-dibromophenyl)urea

C11H12Br2N2O — CID 115617878

IUPAC1-cyclobutyl-3-(2,4-dibromophenyl)urea
SMILESO=C(Nc1ccc(Br)cc1Br)NC1CCC1
InChIInChI=1S/C11H12Br2N2O/c12-7-4-5-10(9(13)6-7)15-11(16)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,14,15,16)
InChIKeyDVGPTOKCVMVYAO-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.89
Rot. Bonds2

About 1-cyclobutyl-3-(2,4-dibromophenyl)urea

1-cyclobutyl-3-(2,4-dibromophenyl)urea (PubChem CID 115617878) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,4-dibromophenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,4-dibromophenyl)urea
PubChem CID115617878
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name1-cyclobutyl-3-(2,4-dibromophenyl)urea
SMILESO=C(Nc1ccc(Br)cc1Br)NC1CCC1
InChIInChI=1S/C11H12Br2N2O/c12-7-4-5-10(9(13)6-7)15-11(16)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,14,15,16)
InChIKeyDVGPTOKCVMVYAO-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,4-dibromophenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2,4-dibromophenyl)urea (CID 115617878) is 1-cyclobutyl-3-(2,4-dibromophenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2,4-dibromophenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2,4-dibromophenyl)urea is O=C(Nc1ccc(Br)cc1Br)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,4-dibromophenyl)urea?
The InChIKey is DVGPTOKCVMVYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c12-7-4-5-10(9(13)6-7)15-11(16)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-(2,4-dibromophenyl)urea?
1-cyclobutyl-3-(2,4-dibromophenyl)urea has a molecular weight of 348.04 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,4-dibromophenyl)urea is sourced from PubChem (CID 115617878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).