2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide

C13H16BrNO4 — CID 172906977

IUPAC2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
SMILESCOc1ccc(Br)c(OCC(=O)NC2CCOC2)c1
InChIInChI=1S/C13H16BrNO4/c1-17-10-2-3-11(14)12(6-10)19-8-13(16)15-9-4-5-18-7-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyCGQYGQCKPYKBGX-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.74
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide

2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide (PubChem CID 172906977) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
PubChem CID172906977
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
SMILESCOc1ccc(Br)c(OCC(=O)NC2CCOC2)c1
InChIInChI=1S/C13H16BrNO4/c1-17-10-2-3-11(14)12(6-10)19-8-13(16)15-9-4-5-18-7-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyCGQYGQCKPYKBGX-UHFFFAOYSA-N
XLogP1.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 81301243
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966
N-cyclopropyl-2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]acetamide
CID 82001807
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
CID 172906988
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
CID 103566005
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide (CID 172906977) is 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide is COc1ccc(Br)c(OCC(=O)NC2CCOC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide?
The InChIKey is CGQYGQCKPYKBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-17-10-2-3-11(14)12(6-10)19-8-13(16)15-9-4-5-18-7-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide?
2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide has a molecular weight of 330.18 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 172906977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).