N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide

C20H14N2O4 — CID 5406244

IUPACN-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3cccc4c(O)ccc(c34)C2=O)cc1
InChIInChI=1S/C20H14N2O4/c1-11(23)21-12-5-7-13(8-6-12)22-19(25)15-4-2-3-14-17(24)10-9-16(18(14)15)20(22)26/h2-10,24H,1H3,(H,21,23)
InChIKeySRNZTNLQHOVBRJ-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.30
Rot. Bonds2

About N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide

N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide (PubChem CID 5406244) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide
PubChem CID5406244
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3cccc4c(O)ccc(c34)C2=O)cc1
InChIInChI=1S/C20H14N2O4/c1-11(23)21-12-5-7-13(8-6-12)22-19(25)15-4-2-3-14-17(24)10-9-16(18(14)15)20(22)26/h2-10,24H,1H3,(H,21,23)
InChIKeySRNZTNLQHOVBRJ-UHFFFAOYSA-N
XLogP3.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide (CID 5406244) is N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)c3cccc4c(O)ccc(c34)C2=O)cc1.
What is the InChIKey of N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide?
The InChIKey is SRNZTNLQHOVBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-11(23)21-12-5-7-13(8-6-12)22-19(25)15-4-2-3-14-17(24)10-9-16(18(14)15)20(22)26/h2-10,24H,1H3,(H,21,23).
What are the key properties of N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide?
N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide has a molecular weight of 346.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide is sourced from PubChem (CID 5406244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).