2-(3-chlorophenoxy)-N-cyclohexylacetamide

C14H18ClNO2 — CID 707066

IUPAC2-(3-chlorophenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,16,17)
InChIKeySFEPGENKHXTUPY-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-cyclohexylacetamide

2-(3-chlorophenoxy)-N-cyclohexylacetamide (PubChem CID 707066) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-cyclohexylacetamide
PubChem CID707066
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(3-chlorophenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,16,17)
InChIKeySFEPGENKHXTUPY-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-cyclohexylacetamide (CID 707066) is 2-(3-chlorophenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-cyclohexylacetamide is O=C(COc1cccc(Cl)c1)NC1CCCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-cyclohexylacetamide?
The InChIKey is SFEPGENKHXTUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-cyclohexylacetamide?
2-(3-chlorophenoxy)-N-cyclohexylacetamide has a molecular weight of 267.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 707066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).