4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide

C16H13N3O4 — CID 155669332

IUPAC4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
SMILESNc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H13N3O4/c17-11-5-6-13-12(7-11)14(20)16(22)19(13)8-9-1-3-10(4-2-9)15(21)18-23/h1-7,23H,8,17H2,(H,18,21)
InChIKeyQVSSRSWGFCKXEG-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.12
Rot. Bonds3

About 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide

4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 155669332) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
PubChem CID155669332
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
SMILESNc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H13N3O4/c17-11-5-6-13-12(7-11)14(20)16(22)19(13)8-9-1-3-10(4-2-9)15(21)18-23/h1-7,23H,8,17H2,(H,18,21)
InChIKeyQVSSRSWGFCKXEG-UHFFFAOYSA-N
XLogP1.12
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

methyl 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]benzoate
CID 155669339
5-amino-1-benzylindole-2,3-dione
CID 53306407
1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
CID 129218234
3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669331
1-benzyl-2,3-dioxoindole-5-carboxylic acid
CID 11708944
4-[(2,3-dioxo-5-sulfoindol-1-yl)methyl]benzoic acid
CID 129218422
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-amino-1-[(dimethylamino)methyl]indole-2,3-dione
CID 125478045
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818
N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
CID 155536301
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide
CID 162479710

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide (CID 155669332) is 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide is Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is QVSSRSWGFCKXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c17-11-5-6-13-12(7-11)14(20)16(22)19(13)8-9-1-3-10(4-2-9)15(21)18-23/h1-7,23H,8,17H2,(H,18,21).
What are the key properties of 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide?
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 311.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155669332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).