1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea

C15H21ClN2O — CID 4059236

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,17,18,19)
InChIKeySCOQREPBQYQOBY-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.51
Rot. Bonds4

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

1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea (PubChem CID 4059236) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea
PubChem CID4059236
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,17,18,19)
InChIKeySCOQREPBQYQOBY-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea (CID 4059236) is 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea is O=C(NCCc1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea?
The InChIKey is SCOQREPBQYQOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H2,17,18,19).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea?
1-[2-(4-chlorophenyl)ethyl]-3-cyclohexylurea has a molecular weight of 280.80 g/mol, XLogP of 3.51, 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-cyclohexylurea is sourced from PubChem (CID 4059236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).