1-benzyl-2,3-dioxoindole-5-carboxamide

C16H12N2O3 — CID 515962

IUPAC1-benzyl-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20)
InChIKeyGNHGMLHHGVQGSW-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.51
Rot. Bonds3

About 1-benzyl-2,3-dioxoindole-5-carboxamide

1-benzyl-2,3-dioxoindole-5-carboxamide (PubChem CID 515962) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-benzyl-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,3-dioxoindole-5-carboxamide
PubChem CID515962
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name1-benzyl-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20)
InChIKeyGNHGMLHHGVQGSW-UHFFFAOYSA-N
XLogP1.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-benzyl-2,3-dioxoindole-5-carboxamide (CID 515962) is 1-benzyl-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-benzyl-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-benzyl-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,3-dioxoindole-5-carboxamide?
The InChIKey is GNHGMLHHGVQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20).
What are the key properties of 1-benzyl-2,3-dioxoindole-5-carboxamide?
1-benzyl-2,3-dioxoindole-5-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).