(2,6-dichlorophenyl) N-cyclohexylcarbamate

C13H15Cl2NO2 — CID 134113156

IUPAC(2,6-dichlorophenyl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-7-4-8-11(15)12(10)18-13(17)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyDOMYEKHPLGTSDD-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.41
Rot. Bonds2

About (2,6-dichlorophenyl) N-cyclohexylcarbamate

(2,6-dichlorophenyl) N-cyclohexylcarbamate (PubChem CID 134113156) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (2,6-dichlorophenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(2,6-dichlorophenyl) N-cyclohexylcarbamate
PubChem CID134113156
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(2,6-dichlorophenyl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-7-4-8-11(15)12(10)18-13(17)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyDOMYEKHPLGTSDD-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl) N-cyclohexylcarbamate?
The IUPAC name of (2,6-dichlorophenyl) N-cyclohexylcarbamate (CID 134113156) is (2,6-dichlorophenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (2,6-dichlorophenyl) N-cyclohexylcarbamate?
The canonical SMILES for (2,6-dichlorophenyl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl) N-cyclohexylcarbamate?
The InChIKey is DOMYEKHPLGTSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-7-4-8-11(15)12(10)18-13(17)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of (2,6-dichlorophenyl) N-cyclohexylcarbamate?
(2,6-dichlorophenyl) N-cyclohexylcarbamate has a molecular weight of 288.17 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 134113156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).