N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide

C16H13N3O3 — CID 10827691

IUPACN'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide
SMILESO=C(NNc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c20-11-7-5-10(6-8-11)18-19-16(22)15(21)13-9-17-14-4-2-1-3-12(13)14/h1-9,17-18,20H,(H,19,22)
InChIKeyUCLVJQLGBFJDAF-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.20
Rot. Bonds4

About N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide

N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide (PubChem CID 10827691) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide
PubChem CID10827691
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide
SMILESO=C(NNc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c20-11-7-5-10(6-8-11)18-19-16(22)15(21)13-9-17-14-4-2-1-3-12(13)14/h1-9,17-18,20H,(H,19,22)
InChIKeyUCLVJQLGBFJDAF-UHFFFAOYSA-N
XLogP2.20
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
3-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135613205
2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11429291
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1H-indole-7-carbohydrazide
CID 135494520
3-(p-Hydroxy)benzoyl indole
CID 3062671
Proviolacein
CID 135428133
N-[(4-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 10688438
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(1H-indol-3-yl)acetohydrazide
CID 135404049
4-hydroxy-N'-[(1Z)-1H-indol-3-ylmethylene]benzohydrazide
CID 135829858
N-Salicyloyltryptamine
CID 10356316

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide?
The IUPAC name of N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide (CID 10827691) is N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide.
What is the SMILES notation for N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide?
The canonical SMILES for N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide is O=C(NNc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide?
The InChIKey is UCLVJQLGBFJDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-11-7-5-10(6-8-11)18-19-16(22)15(21)13-9-17-14-4-2-1-3-12(13)14/h1-9,17-18,20H,(H,19,22).
What are the key properties of N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide?
N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide has a molecular weight of 295.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide is sourced from PubChem (CID 10827691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).