2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide

C16H11N3O5 — CID 3704400

IUPAC2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11N3O5/c20-14(17-10-5-7-11(8-6-10)19(23)24)9-18-13-4-2-1-3-12(13)15(21)16(18)22/h1-8H,9H2,(H,17,20)
InChIKeyKKDJSVAOORLTRK-UHFFFAOYSA-N
MW325.28 g/mol
LogP1.76
Rot. Bonds4

About 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide

2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 3704400) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID3704400
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11N3O5/c20-14(17-10-5-7-11(8-6-10)19(23)24)9-18-13-4-2-1-3-12(13)15(21)16(18)22/h1-8H,9H2,(H,17,20)
InChIKeyKKDJSVAOORLTRK-UHFFFAOYSA-N
XLogP1.76
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
1-[2-(3-nitrophenyl)-2-oxoethyl]indole-2,3-dione
CID 3906745
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
N-(4-methylphenyl)-2-[3-[(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]acetamide
CID 4563663
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 84571824
N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide
CID 43509702
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 60630184
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
2-[[4-(4-nitrophenyl)anilino]methyl]isoindole-1,3-dione
CID 1373043
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide (CID 3704400) is 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide is O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is KKDJSVAOORLTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-14(17-10-5-7-11(8-6-10)19(23)24)9-18-13-4-2-1-3-12(13)15(21)16(18)22/h1-8H,9H2,(H,17,20).
What are the key properties of 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide?
2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 325.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3704400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).