2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

C17H16BrNO4 — CID 41051814

IUPAC2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C=O)cc2Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-22-14-5-2-12(3-6-14)9-19-17(21)11-23-16-7-4-13(10-20)8-15(16)18/h2-8,10H,9,11H2,1H3,(H,19,21)
InChIKeyCHBQBDMEOCSFST-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.97
Rot. Bonds7

About 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 41051814) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID41051814
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C=O)cc2Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-22-14-5-2-12(3-6-14)9-19-17(21)11-23-16-7-4-13(10-20)8-15(16)18/h2-8,10H,9,11H2,1H3,(H,19,21)
InChIKeyCHBQBDMEOCSFST-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.97
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-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753590
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 45419477

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (CID 41051814) is 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(C=O)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is CHBQBDMEOCSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-22-14-5-2-12(3-6-14)9-19-17(21)11-23-16-7-4-13(10-20)8-15(16)18/h2-8,10H,9,11H2,1H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 378.22 g/mol, XLogP of 2.97, 7 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 41051814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).