3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea

C16H21ClN2O — CID 108904598

IUPAC3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)N/C=C/c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H21ClN2O/c1-19(14-8-3-2-4-9-14)16(20)18-12-11-13-7-5-6-10-15(13)17/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,18,20)/b12-11+
InChIKeyHZLVXIIWGVVWNM-VAWYXSNFSA-N
MW292.81 g/mol
LogP4.28
Rot. Bonds3

About 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea

3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea (PubChem CID 108904598) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
PubChem CID108904598
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)N/C=C/c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H21ClN2O/c1-19(14-8-3-2-4-9-14)16(20)18-12-11-13-7-5-6-10-15(13)17/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,18,20)/b12-11+
InChIKeyHZLVXIIWGVVWNM-VAWYXSNFSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903114
3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108906460
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
CID 108904818
1-chloro-2-[(E)-2-cyclohexylethenyl]benzene
CID 101186675
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea (CID 108904598) is 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea is CN(C(=O)N/C=C/c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
The InChIKey is HZLVXIIWGVVWNM-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-19(14-8-3-2-4-9-14)16(20)18-12-11-13-7-5-6-10-15(13)17/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,18,20)/b12-11+.
What are the key properties of 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea has a molecular weight of 292.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 108904598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).