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

C17H25ClN2O — CID 108888706

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
SMILESO=C(NCCc1ccc(Cl)cc1)NCCC1CCCCC1
InChIInChI=1S/C17H25ClN2O/c18-16-8-6-15(7-9-16)11-13-20-17(21)19-12-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,19,20,21)
InChIKeyMTNIORKHMSXLDH-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.15
Rot. Bonds6

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

1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea (PubChem CID 108888706) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
PubChem CID108888706
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
SMILESO=C(NCCc1ccc(Cl)cc1)NCCC1CCCCC1
InChIInChI=1S/C17H25ClN2O/c18-16-8-6-15(7-9-16)11-13-20-17(21)19-12-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,19,20,21)
InChIKeyMTNIORKHMSXLDH-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea (CID 108888706) is 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea is O=C(NCCc1ccc(Cl)cc1)NCCC1CCCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea?
The InChIKey is MTNIORKHMSXLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-16-8-6-15(7-9-16)11-13-20-17(21)19-12-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea has a molecular weight of 308.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea is sourced from PubChem (CID 108888706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).