1-(3-chlorophenyl)-3-cyclohexylurea

C13H17ClN2O — CID 751320

IUPAC1-(3-chlorophenyl)-3-cyclohexylurea
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17)
InChIKeyWUPWWTKSYQSCFQ-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.79
Rot. Bonds2

About 1-(3-chlorophenyl)-3-cyclohexylurea

1-(3-chlorophenyl)-3-cyclohexylurea (PubChem CID 751320) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-cyclohexylurea
PubChem CID751320
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(3-chlorophenyl)-3-cyclohexylurea
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17)
InChIKeyWUPWWTKSYQSCFQ-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-cyclohexylurea (CID 751320) is 1-(3-chlorophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-cyclohexylurea is O=C(Nc1cccc(Cl)c1)NC1CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-cyclohexylurea?
The InChIKey is WUPWWTKSYQSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17).
What are the key properties of 1-(3-chlorophenyl)-3-cyclohexylurea?
1-(3-chlorophenyl)-3-cyclohexylurea has a molecular weight of 252.74 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-cyclohexylurea is sourced from PubChem (CID 751320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).