1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea

C12H14BrFN2O — CID 113252784

IUPAC1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
SMILESO=C(Nc1c(F)cccc1Br)NC1CCCC1
InChIInChI=1S/C12H14BrFN2O/c13-9-6-3-7-10(14)11(9)16-12(17)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,15,16,17)
InChIKeyWBXSXJALERNQJS-UHFFFAOYSA-N
MW301.16 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea

1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea (PubChem CID 113252784) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
PubChem CID113252784
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
SMILESO=C(Nc1c(F)cccc1Br)NC1CCCC1
InChIInChI=1S/C12H14BrFN2O/c13-9-6-3-7-10(14)11(9)16-12(17)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,15,16,17)
InChIKeyWBXSXJALERNQJS-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
1-cyclohexyl-3-(2,6-dibromophenyl)thiourea
CID 107598629
(1R)-N-(2-bromo-6-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 97007823

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea (CID 113252784) is 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea is O=C(Nc1c(F)cccc1Br)NC1CCCC1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea?
The InChIKey is WBXSXJALERNQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-6-3-7-10(14)11(9)16-12(17)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,15,16,17).
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea?
1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea has a molecular weight of 301.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea is sourced from PubChem (CID 113252784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).