N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide

C17H18BrNO3 — CID 16548373

IUPACN-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C17H18BrNO3/c1-12(13-7-3-4-8-14(13)18)19-17(20)11-22-16-10-6-5-9-15(16)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyLGHAVVWRIXNKDE-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide

N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 16548373) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID16548373
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C17H18BrNO3/c1-12(13-7-3-4-8-14(13)18)19-17(20)11-22-16-10-6-5-9-15(16)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyLGHAVVWRIXNKDE-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 9090585
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100513410
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 16548373) is N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is LGHAVVWRIXNKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-12(13-7-3-4-8-14(13)18)19-17(20)11-22-16-10-6-5-9-15(16)21-2/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 16548373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).