(2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide

C9H9BrN2O3 — CID 86675606

IUPAC(2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide
SMILESCOc1cc(NC(=O)/C=N\O)ccc1Br
InChIInChI=1S/C9H9BrN2O3/c1-15-8-4-6(2-3-7(8)10)12-9(13)5-11-14/h2-5,14H,1H3,(H,12,13)/b11-5-
InChIKeyYQYJRGPMYIWNOB-WZUFQYTHSA-N
MW273.09 g/mol
LogP1.86
Rot. Bonds3

About (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide

(2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide (PubChem CID 86675606) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide
PubChem CID86675606
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name(2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide
SMILESCOc1cc(NC(=O)/C=N\O)ccc1Br
InChIInChI=1S/C9H9BrN2O3/c1-15-8-4-6(2-3-7(8)10)12-9(13)5-11-14/h2-5,14H,1H3,(H,12,13)/b11-5-
InChIKeyYQYJRGPMYIWNOB-WZUFQYTHSA-N
XLogP1.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(Z)-4-(4-bromo-3-methoxyanilino)-4-oxobut-2-enoic acid
CID 82036897
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
dimethyl (E)-2-(4-bromo-3-methoxyanilino)but-2-enedioate
CID 168570185
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
1-[(4-bromo-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82860618
N-(4-bromo-3-methoxyphenyl)-3-methyl-2-sulfanylbutanamide
CID 107033761
N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 71982759
N-(4-bromo-3-methoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 82860120
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
4-(4-bromo-3-methoxyanilino)-2,2-diethyl-4-oxobutanoic acid
CID 79451102

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide (CID 86675606) is (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide is COc1cc(NC(=O)/C=N\O)ccc1Br.
What is the InChIKey of (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The InChIKey is YQYJRGPMYIWNOB-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-15-8-4-6(2-3-7(8)10)12-9(13)5-11-14/h2-5,14H,1H3,(H,12,13)/b11-5-.
What are the key properties of (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide?
(2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide has a molecular weight of 273.09 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-bromo-3-methoxyphenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 86675606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).