2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide

C16H14BrNO4 — CID 3955556

IUPAC2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C=O)cc1Br
InChIInChI=1S/C16H14BrNO4/c1-21-15-5-3-2-4-13(15)18-16(20)10-22-14-7-6-11(9-19)8-12(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIMFQGSBURWFBKO-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide

2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide (PubChem CID 3955556) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
PubChem CID3955556
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C=O)cc1Br
InChIInChI=1S/C16H14BrNO4/c1-21-15-5-3-2-4-13(15)18-16(20)10-22-14-7-6-11(9-19)8-12(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIMFQGSBURWFBKO-UHFFFAOYSA-N
XLogP3.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide
CID 23740858
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-(5-amino-2-bromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 103008653
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2164227
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7611792

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide (CID 3955556) is 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1ccc(C=O)cc1Br.
What is the InChIKey of 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide?
The InChIKey is IMFQGSBURWFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-21-15-5-3-2-4-13(15)18-16(20)10-22-14-7-6-11(9-19)8-12(14)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide?
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide has a molecular weight of 364.20 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 3955556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).