2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide

C11H14BrNO3 — CID 172906966

IUPAC2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(OC)ccc1Br
InChIInChI=1S/C11H14BrNO3/c1-3-13-11(14)7-16-10-6-8(15-2)4-5-9(10)12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyBGJJAGBUUZIJTA-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.97
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide

2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide (PubChem CID 172906966) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
PubChem CID172906966
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(OC)ccc1Br
InChIInChI=1S/C11H14BrNO3/c1-3-13-11(14)7-16-10-6-8(15-2)4-5-9(10)12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyBGJJAGBUUZIJTA-UHFFFAOYSA-N
XLogP1.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
CID 172906988
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 43267848
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
CID 172906977
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide (CID 172906966) is 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide is CCNC(=O)COc1cc(OC)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide?
The InChIKey is BGJJAGBUUZIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-13-11(14)7-16-10-6-8(15-2)4-5-9(10)12/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide?
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide has a molecular weight of 288.14 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide is sourced from PubChem (CID 172906966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).