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

C15H19ClN2O — CID 703714

IUPAC1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESO=C(NCCC1=CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c16-13-6-8-14(9-7-13)18-15(19)17-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H2,17,18,19)
InChIKeyRPFQMVSKCKABRR-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.35
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea (PubChem CID 703714) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
PubChem CID703714
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESO=C(NCCC1=CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c16-13-6-8-14(9-7-13)18-15(19)17-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H2,17,18,19)
InChIKeyRPFQMVSKCKABRR-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.35
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-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 970844
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea
CID 4000468
N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea (CID 703714) is 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea is O=C(NCCC1=CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The InChIKey is RPFQMVSKCKABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-6-8-14(9-7-13)18-15(19)17-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea has a molecular weight of 278.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea is sourced from PubChem (CID 703714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).