1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea

C11H12BrFN2O — CID 103755930

IUPAC1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
SMILESO=C(Nc1cc(F)ccc1Br)NC1CCC1
InChIInChI=1S/C11H12BrFN2O/c12-9-5-4-7(13)6-10(9)15-11(16)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,14,15,16)
InChIKeyQUEFXSXIZMYFHS-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea

1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea (PubChem CID 103755930) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
PubChem CID103755930
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
SMILESO=C(Nc1cc(F)ccc1Br)NC1CCC1
InChIInChI=1S/C11H12BrFN2O/c12-9-5-4-7(13)6-10(9)15-11(16)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,14,15,16)
InChIKeyQUEFXSXIZMYFHS-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-bromophenyl)-3-cycloheptylurea
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1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
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CID 47202448
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
(2-bromo-5-fluorophenyl)urea
CID 99639427
4-bromo-3-[(4-hydroxycyclohexyl)carbamoylamino]benzoic acid
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(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide
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CID 103755890

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea (CID 103755930) is 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea is O=C(Nc1cc(F)ccc1Br)NC1CCC1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea?
The InChIKey is QUEFXSXIZMYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-9-5-4-7(13)6-10(9)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-(2-bromo-5-fluorophenyl)-3-cyclobutylurea?
1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea has a molecular weight of 287.13 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea is sourced from PubChem (CID 103755930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).