N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide

C19H17NO4 — CID 155513015

IUPACN-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO4/c21-16-12-8-4-5-9-13(12)17(22)18-14(16)10-15(24-18)19(23)20-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,20,23)
InChIKeyVSQGCBBMHYQRLB-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.12
Rot. Bonds2

About N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide

N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide (PubChem CID 155513015) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
PubChem CID155513015
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO4/c21-16-12-8-4-5-9-13(12)17(22)18-14(16)10-15(24-18)19(23)20-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,20,23)
InChIKeyVSQGCBBMHYQRLB-UHFFFAOYSA-N
XLogP3.12
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide (CID 155513015) is N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide is O=C(NC1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
The InChIKey is VSQGCBBMHYQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-16-12-8-4-5-9-13(12)17(22)18-14(16)10-15(24-18)19(23)20-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,20,23).
What are the key properties of N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide is sourced from PubChem (CID 155513015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).