2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide

C17H15Br2NO4 — CID 2109479

IUPAC2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C(C)=O
InChIInChI=1S/C17H15Br2NO4/c1-10(21)12-7-11(18)8-13(19)17(12)24-9-16(22)20-14-5-3-4-6-15(14)23-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyQUAYIKWFUNBPKU-UHFFFAOYSA-N
MW457.12 g/mol
LogP4.44
Rot. Bonds6

About 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide

2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide (PubChem CID 2109479) has the molecular formula C17H15Br2NO4 and a molecular weight of 457.12 g/mol. Its IUPAC name is 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide
PubChem CID2109479
Molecular FormulaC17H15Br2NO4
Molecular Weight457.12 g/mol
Exact Mass454.94
IUPAC Name2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C(C)=O
InChIInChI=1S/C17H15Br2NO4/c1-10(21)12-7-11(18)8-13(19)17(12)24-9-16(22)20-14-5-3-4-6-15(14)23-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyQUAYIKWFUNBPKU-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.12
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2164227
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
2-(5-amino-2-bromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 103008653
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide (CID 2109479) is 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide?
The InChIKey is QUAYIKWFUNBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO4/c1-10(21)12-7-11(18)8-13(19)17(12)24-9-16(22)20-14-5-3-4-6-15(14)23-2/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide?
2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide has a molecular weight of 457.12 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2109479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).