N-(1,4-dioxonaphthalen-2-yl)benzamide

C17H11NO3 — CID 4882

IUPACN-(1,4-dioxonaphthalen-2-yl)benzamide
SMILESO=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
InChIKeyBIVQBWSIGJFXLF-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.38
Rot. Bonds2

About N-(1,4-dioxonaphthalen-2-yl)benzamide

N-(1,4-dioxonaphthalen-2-yl)benzamide (PubChem CID 4882) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(1,4-dioxonaphthalen-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,4-dioxonaphthalen-2-yl)benzamide
PubChem CID4882
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC NameN-(1,4-dioxonaphthalen-2-yl)benzamide
SMILESO=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
InChIKeyBIVQBWSIGJFXLF-UHFFFAOYSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dioxonaphthalen-2-yl)benzamide?
The IUPAC name of N-(1,4-dioxonaphthalen-2-yl)benzamide (CID 4882) is N-(1,4-dioxonaphthalen-2-yl)benzamide.
What is the SMILES notation for N-(1,4-dioxonaphthalen-2-yl)benzamide?
The canonical SMILES for N-(1,4-dioxonaphthalen-2-yl)benzamide is O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-(1,4-dioxonaphthalen-2-yl)benzamide?
The InChIKey is BIVQBWSIGJFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21).
What are the key properties of N-(1,4-dioxonaphthalen-2-yl)benzamide?
N-(1,4-dioxonaphthalen-2-yl)benzamide has a molecular weight of 277.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxonaphthalen-2-yl)benzamide is sourced from PubChem (CID 4882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).