N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide

C22H19N5O4 — CID 163177552

IUPACN-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide
SMILESO=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([NH+]([O-])O)c1
InChIInChI=1S/C22H19N5O4/c28-21(14-23-25-17-7-3-1-4-8-17)16-11-12-19(20(13-16)27(30)31)22(29)15-24-26-18-9-5-2-6-10-18/h1-15,25-27,30H
InChIKeyXWGIAVWDYNWBSE-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.65
Rot. Bonds9

About N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide

N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide (PubChem CID 163177552) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide
PubChem CID163177552
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide
SMILESO=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([NH+]([O-])O)c1
InChIInChI=1S/C22H19N5O4/c28-21(14-23-25-17-7-3-1-4-8-17)16-11-12-19(20(13-16)27(30)31)22(29)15-24-26-18-9-5-2-6-10-18/h1-15,25-27,30H
InChIKeyXWGIAVWDYNWBSE-UHFFFAOYSA-N
XLogP2.65
TPSA130.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone
CID 2749292
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
CID 5370271
1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
CID 135539246
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
2-[(E)-N-(4-carboxyanilino)-C-methylcarbonimidoyl]-4-methylphenolate
CID 135823955
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
CID 6373583

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide (CID 163177552) is N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide is O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([NH+]([O-])O)c1.
What is the InChIKey of N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide?
The InChIKey is XWGIAVWDYNWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c28-21(14-23-25-17-7-3-1-4-8-17)16-11-12-19(20(13-16)27(30)31)22(29)15-24-26-18-9-5-2-6-10-18/h1-15,25-27,30H.
What are the key properties of N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide?
N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide has a molecular weight of 417.43 g/mol, XLogP of 2.65, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide is sourced from PubChem (CID 163177552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).