N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide

C22H15NO4 — CID 56642992

IUPACN-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C22H15NO4/c1-13-11-12-17(27-13)22(26)23-19-18(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(19)25/h2-12H,1H3,(H,23,26)
InChIKeyGTKNPIPEWJVANP-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.81
Rot. Bonds3

About N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide

N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 56642992) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide
PubChem CID56642992
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC NameN-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C22H15NO4/c1-13-11-12-17(27-13)22(26)23-19-18(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(19)25/h2-12H,1H3,(H,23,26)
InChIKeyGTKNPIPEWJVANP-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.81
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-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide (CID 56642992) is N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is GTKNPIPEWJVANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4/c1-13-11-12-17(27-13)22(26)23-19-18(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(19)25/h2-12H,1H3,(H,23,26).
What are the key properties of N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide?
N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 56642992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).