N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide

C16H14BrNO4 — CID 7611543

IUPACN-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO4/c1-21-14-7-2-11(9-19)8-15(14)22-10-16(20)18-13-5-3-12(17)4-6-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyJAVDGDRNDKSQLO-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.29
Rot. Bonds6

About N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide

N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide (PubChem CID 7611543) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
PubChem CID7611543
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC NameN-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO4/c1-21-14-7-2-11(9-19)8-15(14)22-10-16(20)18-13-5-3-12(17)4-6-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyJAVDGDRNDKSQLO-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

2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7612096
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-(4-formyl-2-methoxyphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 7894150
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7611792
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 26654844

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide (CID 7611543) is N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide is COc1ccc(C=O)cc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is JAVDGDRNDKSQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-21-14-7-2-11(9-19)8-15(14)22-10-16(20)18-13-5-3-12(17)4-6-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)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 N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 7611543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).