1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea

C15H18BrFN2O — CID 47223223

IUPAC1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESO=C(NCCC1=CCCCC1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H18BrFN2O/c16-13-10-12(17)6-7-14(13)19-15(20)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,18,19,20)
InChIKeyPIOFZEQKRRARQB-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.60
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea

1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea (PubChem CID 47223223) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
PubChem CID47223223
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESO=C(NCCC1=CCCCC1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H18BrFN2O/c16-13-10-12(17)6-7-14(13)19-15(20)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,18,19,20)
InChIKeyPIOFZEQKRRARQB-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108959420
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
CID 71973858
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 112976126
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
CID 3772878
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
3-bromo-4-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 114009477
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea (CID 47223223) is 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea is O=C(NCCC1=CCCCC1)Nc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The InChIKey is PIOFZEQKRRARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c16-13-10-12(17)6-7-14(13)19-15(20)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea has a molecular weight of 341.22 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea is sourced from PubChem (CID 47223223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).