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

C16H22BrNO3 — CID 104704670

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
SMILESCOc1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO3/c1-20-13-8-9-15(14(17)10-13)21-11-16(19)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,18,19)
InChIKeyDCNRGTRLVCGXMU-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.68
Rot. Bonds5

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

2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide (PubChem CID 104704670) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
PubChem CID104704670
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
SMILESCOc1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO3/c1-20-13-8-9-15(14(17)10-13)21-11-16(19)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,18,19)
InChIKeyDCNRGTRLVCGXMU-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
CID 172906977
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide (CID 104704670) is 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide is COc1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide?
The InChIKey is DCNRGTRLVCGXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-20-13-8-9-15(14(17)10-13)21-11-16(19)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide?
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide has a molecular weight of 356.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 104704670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).