1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea

C15H18F2N2O — CID 23827995

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
SMILESO=C(NCCC1=CCCCC1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2O/c16-12-6-7-13(17)14(10-12)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)
InChIKeyDXXIOINQOUQVAT-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.98
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea (PubChem CID 23827995) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
PubChem CID23827995
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
SMILESO=C(NCCC1=CCCCC1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2O/c16-12-6-7-13(17)14(10-12)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)
InChIKeyDXXIOINQOUQVAT-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.98
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-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 47223223
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
CID 71973858
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 112976126
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108959420
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-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
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-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea (CID 23827995) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea is O=C(NCCC1=CCCCC1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea?
The InChIKey is DXXIOINQOUQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-12-6-7-13(17)14(10-12)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-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea has a molecular weight of 280.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 23827995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).