N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide

C15H11NO4 — CID 175902717

IUPACN,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2c(c1C)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C15H11NO4/c1-7-10-12(18)11(17)8-5-3-4-6-9(8)14(10)20-13(7)15(19)16-2/h3-6H,1-2H3,(H,16,19)
InChIKeyUUTGWYDBVLIRCS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.99
Rot. Bonds1

About N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide

N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide (PubChem CID 175902717) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
PubChem CID175902717
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC NameN,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2c(c1C)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C15H11NO4/c1-7-10-12(18)11(17)8-5-3-4-6-9(8)14(10)20-13(7)15(19)16-2/h3-6H,1-2H3,(H,16,19)
InChIKeyUUTGWYDBVLIRCS-UHFFFAOYSA-N
XLogP1.99
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide (CID 175902717) is N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide is CNC(=O)c1oc2c(c1C)C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is UUTGWYDBVLIRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-7-10-12(18)11(17)8-5-3-4-6-9(8)14(10)20-13(7)15(19)16-2/h3-6H,1-2H3,(H,16,19).
What are the key properties of N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 175902717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).