N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide

C16H13BrIN3O3 — CID 135821630

IUPACN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H13BrIN3O3/c17-11-5-6-14(22)10(7-11)8-20-21-15(23)9-19-16(24)12-3-1-2-4-13(12)18/h1-8,22H,9H2,(H,19,24)(H,21,23)/b20-8+
InChIKeyXLQOCGZKYJTZIB-DNTJNYDQSA-N
MW502.11 g/mol
LogP2.64
Rot. Bonds5

About N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide

N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide (PubChem CID 135821630) has the molecular formula C16H13BrIN3O3 and a molecular weight of 502.11 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
PubChem CID135821630
Molecular FormulaC16H13BrIN3O3
Molecular Weight502.11 g/mol
Exact Mass500.92
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H13BrIN3O3/c17-11-5-6-14(22)10(7-11)8-20-21-15(23)9-19-16(24)12-3-1-2-4-13(12)18/h1-8,22H,9H2,(H,19,24)(H,21,23)/b20-8+
InChIKeyXLQOCGZKYJTZIB-DNTJNYDQSA-N
XLogP2.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.11
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388
2-bromo-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135451270
2-bromo-N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135472783
N'-[(1E)-(5-bromo-2-hydroxyphenyl)methylene]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetohydrazide
CID 135497926
N-(5-{N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}pentyl)benzamide
CID 135517017
N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl](2-methylphenyl)carboxamide
CID 135412184

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide (CID 135821630) is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is XLQOCGZKYJTZIB-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H13BrIN3O3/c17-11-5-6-14(22)10(7-11)8-20-21-15(23)9-19-16(24)12-3-1-2-4-13(12)18/h1-8,22H,9H2,(H,19,24)(H,21,23)/b20-8+.
What are the key properties of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 502.11 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 135821630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).