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

C16H21ClN2O — CID 108912710

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c17-15-8-6-13(7-9-15)10-11-18-16(20)19-12-14-4-2-1-3-5-14/h6-9,12H,1-5,10-11H2,(H2,18,19,20)
InChIKeyXLCRQYBONISCMI-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.03
Rot. Bonds4

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

1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea (PubChem CID 108912710) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
PubChem CID108912710
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c17-15-8-6-13(7-9-15)10-11-18-16(20)19-12-14-4-2-1-3-5-14/h6-9,12H,1-5,10-11H2,(H2,18,19,20)
InChIKeyXLCRQYBONISCMI-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
1-[(E)-but-1-enyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108910845
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
CID 108891921
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911218
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913115
1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
CID 108913619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea (CID 108912710) is 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea is O=C(NC=C1CCCCC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
The InChIKey is XLCRQYBONISCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-15-8-6-13(7-9-15)10-11-18-16(20)19-12-14-4-2-1-3-5-14/h6-9,12H,1-5,10-11H2,(H2,18,19,20).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea has a molecular weight of 292.81 g/mol, XLogP of 4.03, 4 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-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).