N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide

C17H11NO4 — CID 2749308

IUPACN-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1c(C=O)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H11NO4/c1-9(20)18-15-10(8-19)6-7-13-14(15)17(22)12-5-3-2-4-11(12)16(13)21/h2-8H,1H3,(H,18,20)
InChIKeyDFOZJHBWZHQKAM-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.23
Rot. Bonds2

About N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide

N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 2749308) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID2749308
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC NameN-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1c(C=O)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H11NO4/c1-9(20)18-15-10(8-19)6-7-13-14(15)17(22)12-5-3-2-4-11(12)16(13)21/h2-8H,1H3,(H,18,20)
InChIKeyDFOZJHBWZHQKAM-UHFFFAOYSA-N
XLogP2.23
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide (CID 2749308) is N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide is CC(=O)Nc1c(C=O)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is DFOZJHBWZHQKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c1-9(20)18-15-10(8-19)6-7-13-14(15)17(22)12-5-3-2-4-11(12)16(13)21/h2-8H,1H3,(H,18,20).
What are the key properties of N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide?
N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 293.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 2749308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).