1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea

C14H19ClN2O2 — CID 742626

IUPAC1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-8-7-10(15)9-12(13)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyWZTFOWGWZGQLEM-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.80
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea

1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea (PubChem CID 742626) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea
PubChem CID742626
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-8-7-10(15)9-12(13)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyWZTFOWGWZGQLEM-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea (CID 742626) is 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea is COc1ccc(Cl)cc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea?
The InChIKey is WZTFOWGWZGQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-8-7-10(15)9-12(13)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea?
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea has a molecular weight of 282.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylurea is sourced from PubChem (CID 742626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).