1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea

C11H21ClN2O — CID 57089806

IUPAC1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea
SMILESCC(NC(=O)NCCCl)C1CCCCC1
InChIInChI=1S/C11H21ClN2O/c1-9(10-5-3-2-4-6-10)14-11(15)13-8-7-12/h9-10H,2-8H2,1H3,(H2,13,14,15)
InChIKeyVWJBNWKQJPDHPY-UHFFFAOYSA-N
MW232.75 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea

1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea (PubChem CID 57089806) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea
PubChem CID57089806
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea
SMILESCC(NC(=O)NCCCl)C1CCCCC1
InChIInChI=1S/C11H21ClN2O/c1-9(10-5-3-2-4-6-10)14-11(15)13-8-7-12/h9-10H,2-8H2,1H3,(H2,13,14,15)
InChIKeyVWJBNWKQJPDHPY-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea (CID 57089806) is 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea is CC(NC(=O)NCCCl)C1CCCCC1.
What is the InChIKey of 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea?
The InChIKey is VWJBNWKQJPDHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-9(10-5-3-2-4-6-10)14-11(15)13-8-7-12/h9-10H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea?
1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea has a molecular weight of 232.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(1-cyclohexylethyl)urea is sourced from PubChem (CID 57089806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).