2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide

C16H15BrN2O4 — CID 57365578

IUPAC2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(C=NO)c(Br)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H15BrN2O4/c1-22-14-7-11(9-18-21)13(17)8-15(14)23-10-16(20)19-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyKZLIZPADISFHFU-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.28
Rot. Bonds6

About 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide

2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide (PubChem CID 57365578) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
PubChem CID57365578
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(C=NO)c(Br)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H15BrN2O4/c1-22-14-7-11(9-18-21)13(17)8-15(14)23-10-16(20)19-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyKZLIZPADISFHFU-UHFFFAOYSA-N
XLogP3.28
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-bromo-2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19617616
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 1225246
2-[5-bromo-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 6185154
N-[(Z)-[4-(2-anilino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196560
N-benzyl-2-[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383368
2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 19621791
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19619525
2-[5-bromo-4-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126234261
2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 19617611
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7568652
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126124469

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide (CID 57365578) is 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide is COc1cc(C=NO)c(Br)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is KZLIZPADISFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-22-14-7-11(9-18-21)13(17)8-15(14)23-10-16(20)19-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,19,20).
What are the key properties of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 379.21 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 57365578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).