2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide

C23H17BrN4O3 — CID 3840140

IUPAC2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=NN=Cc2ccccc2O)c2cc(Br)ccc21)Nc1ccccc1
InChIInChI=1S/C23H17BrN4O3/c24-16-10-11-19-18(12-16)22(27-25-13-15-6-4-5-9-20(15)29)23(31)28(19)14-21(30)26-17-7-2-1-3-8-17/h1-13,29H,14H2,(H,26,30)
InChIKeyFJIYMAXJEZKVML-UHFFFAOYSA-N
MW477.32 g/mol
LogP3.96
Rot. Bonds5

About 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide

2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide (PubChem CID 3840140) has the molecular formula C23H17BrN4O3 and a molecular weight of 477.32 g/mol. Its IUPAC name is 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide
PubChem CID3840140
Molecular FormulaC23H17BrN4O3
Molecular Weight477.32 g/mol
Exact Mass476.05
IUPAC Name2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=NN=Cc2ccccc2O)c2cc(Br)ccc21)Nc1ccccc1
InChIInChI=1S/C23H17BrN4O3/c24-16-10-11-19-18(12-16)22(27-25-13-15-6-4-5-9-20(15)29)23(31)28(19)14-21(30)26-17-7-2-1-3-8-17/h1-13,29H,14H2,(H,26,30)
InChIKeyFJIYMAXJEZKVML-UHFFFAOYSA-N
XLogP3.96
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135702042
2-[(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 16631928
2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 4312042
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135752308
N-(4-methylphenyl)-2-[3-[(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]acetamide
CID 4563663
2-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3394136
2-[(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 16632143
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 6108522
5-bromo-3-phenylimino-1-prop-2-enylindol-2-one
CID 58482840
N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188263

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide (CID 3840140) is 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide is O=C(CN1C(=O)C(=NN=Cc2ccccc2O)c2cc(Br)ccc21)Nc1ccccc1.
What is the InChIKey of 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide?
The InChIKey is FJIYMAXJEZKVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4O3/c24-16-10-11-19-18(12-16)22(27-25-13-15-6-4-5-9-20(15)29)23(31)28(19)14-21(30)26-17-7-2-1-3-8-17/h1-13,29H,14H2,(H,26,30).
What are the key properties of 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide?
2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide has a molecular weight of 477.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 3840140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).