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

C15H18Cl2N2O — CID 108988105

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
SMILESO=C(NCCC1=CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O/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)
InChIKeyAXMQLXGMCRGFFE-UHFFFAOYSA-N
MW313.23 g/mol
LogP5.01
Rot. Bonds4

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

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea (PubChem CID 108988105) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
PubChem CID108988105
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
SMILESO=C(NCCC1=CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O/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)
InChIKeyAXMQLXGMCRGFFE-UHFFFAOYSA-N
XLogP5.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.23
LogP ≤ 55.01
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-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972648
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 60577294
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
CID 71973858
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859
1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 47223223
methyl 4-chloro-3-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943007
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
CID 3772878
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea (CID 108988105) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea is O=C(NCCC1=CCCCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea?
The InChIKey is AXMQLXGMCRGFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/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-dichlorophenyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea has a molecular weight of 313.23 g/mol, XLogP of 5.01, 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-dichlorophenyl)urea is sourced from PubChem (CID 108988105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).