2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide

C10H11BrN2O4 — CID 19617611

IUPAC2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/O)c(Br)cc1OCC(N)=O
InChIInChI=1S/C10H11BrN2O4/c1-16-8-2-6(4-13-15)7(11)3-9(8)17-5-10(12)14/h2-4,15H,5H2,1H3,(H2,12,14)/b13-4+
InChIKeyPLEICHHWPGEUTQ-YIXHJXPBSA-N
MW303.11 g/mol
LogP1.13
Rot. Bonds5

About 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide

2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide (PubChem CID 19617611) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
PubChem CID19617611
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/O)c(Br)cc1OCC(N)=O
InChIInChI=1S/C10H11BrN2O4/c1-16-8-2-6(4-13-15)7(11)3-9(8)17-5-10(12)14/h2-4,15H,5H2,1H3,(H2,12,14)/b13-4+
InChIKeyPLEICHHWPGEUTQ-YIXHJXPBSA-N
XLogP1.13
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.13
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-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol
CID 57368753
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 57365578
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 1225246
N-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 3450844
2-[5-bromo-4-[(6-bromo-2-tert-butyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 126305200
(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 91689795
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 168533326
2-[5-bromo-4-[[6-bromo-2-[(2S)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methoxyphenoxy]acetamide
CID 126333604
2-[2-(hydroxyiminomethyl)phenoxy]acetamide
CID 57365599
2-[5-bromo-2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19617616
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 954154

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide (CID 19617611) is 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide is COc1cc(/C=N/O)c(Br)cc1OCC(N)=O.
What is the InChIKey of 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide?
The InChIKey is PLEICHHWPGEUTQ-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-16-8-2-6(4-13-15)7(11)3-9(8)17-5-10(12)14/h2-4,15H,5H2,1H3,(H2,12,14)/b13-4+.
What are the key properties of 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide?
2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide has a molecular weight of 303.11 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 19617611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).