2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide

C16H22BrNO2 — CID 803030

IUPAC2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H22BrNO2/c1-12-10-13(17)8-9-15(12)20-11-16(19)18-14-6-4-2-3-5-7-14/h8-10,14H,2-7,11H2,1H3,(H,18,19)
InChIKeyYZXAWTYLMLBDJS-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide

2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide (PubChem CID 803030) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide
PubChem CID803030
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H22BrNO2/c1-12-10-13(17)8-9-15(12)20-11-16(19)18-14-6-4-2-3-5-7-14/h8-10,14H,2-7,11H2,1H3,(H,18,19)
InChIKeyYZXAWTYLMLBDJS-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide (CID 803030) is 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide is Cc1cc(Br)ccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide?
The InChIKey is YZXAWTYLMLBDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-12-10-13(17)8-9-15(12)20-11-16(19)18-14-6-4-2-3-5-7-14/h8-10,14H,2-7,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide?
2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide has a molecular weight of 340.26 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 803030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).