1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea

C15H21BrN2O2 — CID 47467269

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
SMILESO=C(NCCOc1ccc(Br)cc1)NC1CCCCC1
InChIInChI=1S/C15H21BrN2O2/c16-12-6-8-14(9-7-12)20-11-10-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,17,18,19)
InChIKeyHHPZFSCENAFHLI-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea

1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea (PubChem CID 47467269) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
PubChem CID47467269
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
SMILESO=C(NCCOc1ccc(Br)cc1)NC1CCCCC1
InChIInChI=1S/C15H21BrN2O2/c16-12-6-8-14(9-7-12)20-11-10-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,17,18,19)
InChIKeyHHPZFSCENAFHLI-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-[2-(4-bromophenoxy)ethyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 110990870
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea (CID 47467269) is 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea is O=C(NCCOc1ccc(Br)cc1)NC1CCCCC1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea?
The InChIKey is HHPZFSCENAFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-12-6-8-14(9-7-12)20-11-10-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,17,18,19).
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea?
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea has a molecular weight of 341.25 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 47467269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).