3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide

C16H12N2O4 — CID 155669331

IUPAC3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(CN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C16H12N2O4/c19-14-12-6-1-2-7-13(12)18(16(14)21)9-10-4-3-5-11(8-10)15(20)17-22/h1-8,22H,9H2,(H,17,20)
InChIKeyZTSBQNJURRXRGU-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.54
Rot. Bonds3

About 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide

3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 155669331) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
PubChem CID155669331
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(CN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C16H12N2O4/c19-14-12-6-1-2-7-13(12)18(16(14)21)9-10-4-3-5-11(8-10)15(20)17-22/h1-8,22H,9H2,(H,17,20)
InChIKeyZTSBQNJURRXRGU-UHFFFAOYSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
1-benzyl-2,3-dioxoindole-5-carboxylic acid
CID 11708944
methyl 3-[[3-(3,3-dimethyl-1-phenylbutylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602092
1-[(3,4,5-trifluorophenyl)methyl]indole-2,3-dione
CID 129218578
1-[[3-chloro-4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 3745546
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
methyl 3-[[3-(2-methyl-1-phenylpropylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602563
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
4-bromo-N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 55406062
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
CID 55334448
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
CID 9330916

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide (CID 155669331) is 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1cccc(CN2C(=O)C(=O)c3ccccc32)c1.
What is the InChIKey of 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is ZTSBQNJURRXRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-12-6-1-2-7-13(12)18(16(14)21)9-10-4-3-5-11(8-10)15(20)17-22/h1-8,22H,9H2,(H,17,20).
What are the key properties of 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 296.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155669331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).