2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C17H18BrNO3 — CID 7847687

IUPAC2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-21-14-8-6-13(7-9-14)10-11-19-17(20)12-22-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGUPSTPGGZLYURB-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.20
Rot. Bonds7

About 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 7847687) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID7847687
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-21-14-8-6-13(7-9-14)10-11-19-17(20)12-22-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGUPSTPGGZLYURB-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(4-bromo-2,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4021966
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39088895
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 7847687) is 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is GUPSTPGGZLYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-21-14-8-6-13(7-9-14)10-11-19-17(20)12-22-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 7847687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).