N-(9,10-dioxoanthracen-2-yl)benzamide

C21H13NO3 — CID 570342

IUPACN-(9,10-dioxoanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C21H13NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
InChIKeySIGATAYQAZTAOH-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.71
Rot. Bonds2

About N-(9,10-dioxoanthracen-2-yl)benzamide

N-(9,10-dioxoanthracen-2-yl)benzamide (PubChem CID 570342) has the molecular formula C21H13NO3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)benzamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)benzamide
PubChem CID570342
Molecular FormulaC21H13NO3
Molecular Weight327.34 g/mol
Exact Mass327.09
IUPAC NameN-(9,10-dioxoanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C21H13NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
InChIKeySIGATAYQAZTAOH-UHFFFAOYSA-N
XLogP3.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.71
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-(9,10-dioxoanthracen-2-yl)benzamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)benzamide (CID 570342) is N-(9,10-dioxoanthracen-2-yl)benzamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)benzamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)benzamide?
The InChIKey is SIGATAYQAZTAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)benzamide?
N-(9,10-dioxoanthracen-2-yl)benzamide has a molecular weight of 327.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)benzamide is sourced from PubChem (CID 570342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).