N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide

C20H14N2O3 — CID 739740

IUPACN-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C20H14N2O3/c1-12(23)21-17-11-10-16-18-14(17)8-5-9-15(18)19(24)22(20(16)25)13-6-3-2-4-7-13/h2-11H,1H3,(H,21,23)
InChIKeyOFLVUPBFIQKJIE-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.60
Rot. Bonds2

About N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide

N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide (PubChem CID 739740) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide
PubChem CID739740
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C20H14N2O3/c1-12(23)21-17-11-10-16-18-14(17)8-5-9-15(18)19(24)22(20(16)25)13-6-3-2-4-7-13/h2-11H,1H3,(H,21,23)
InChIKeyOFLVUPBFIQKJIE-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide?
The IUPAC name of N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide (CID 739740) is N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide is CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide?
The InChIKey is OFLVUPBFIQKJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-12(23)21-17-11-10-16-18-14(17)8-5-9-15(18)19(24)22(20(16)25)13-6-3-2-4-7-13/h2-11H,1H3,(H,21,23).
What are the key properties of N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide?
N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide is sourced from PubChem (CID 739740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).