2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide

C17H24ClNO2 — CID 4843615

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H24ClNO2/c1-12-9-14(18)10-13(2)17(12)21-11-16(20)19-15-7-5-3-4-6-8-15/h9-10,15H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyWSLARLSZCKQMIP-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide

2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide (PubChem CID 4843615) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide
PubChem CID4843615
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H24ClNO2/c1-12-9-14(18)10-13(2)17(12)21-11-16(20)19-15-7-5-3-4-6-8-15/h9-10,15H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyWSLARLSZCKQMIP-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide (CID 4843615) is 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide is Cc1cc(Cl)cc(C)c1OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide?
The InChIKey is WSLARLSZCKQMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12-9-14(18)10-13(2)17(12)21-11-16(20)19-15-7-5-3-4-6-8-15/h9-10,15H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide?
2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide has a molecular weight of 309.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 4843615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).