2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide

C17H11FN2O4 — CID 11652763

IUPAC2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc2c1C(=O)C(=O)NC2=O
InChIInChI=1S/C17H11FN2O4/c18-10-6-4-9(5-7-10)8-13(21)19-12-3-1-2-11-14(12)15(22)17(24)20-16(11)23/h1-7H,8H2,(H,19,21)(H,20,23,24)
InChIKeyQRBRHZYDIUPCES-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.46
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide

2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide (PubChem CID 11652763) has the molecular formula C17H11FN2O4 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
PubChem CID11652763
Molecular FormulaC17H11FN2O4
Molecular Weight326.28 g/mol
Exact Mass326.07
IUPAC Name2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc2c1C(=O)C(=O)NC2=O
InChIInChI=1S/C17H11FN2O4/c18-10-6-4-9(5-7-10)8-13(21)19-12-3-1-2-11-14(12)15(22)17(24)20-16(11)23/h1-7H,8H2,(H,19,21)(H,20,23,24)
InChIKeyQRBRHZYDIUPCES-UHFFFAOYSA-N
XLogP1.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748017
2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748021
6(5h)-Phenanthridinone, 2-amino-
CID 270668
2-Amino-3-(m-tolylamino)naphthalene-1,4-dione
CID 11976150
2-((4-Fluorophenyl)amino)-3-(piperidin-1-yl)naphthalene-1,4-dione
CID 2893391
N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 11500289
N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclohexanecarboxamide
CID 11500400
N-Allyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
CID 11529998
N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 11536658
2-phenyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 11544054
3-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 11559154
2-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 11566274

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide (CID 11652763) is 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc2c1C(=O)C(=O)NC2=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
The InChIKey is QRBRHZYDIUPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O4/c18-10-6-4-9(5-7-10)8-13(21)19-12-3-1-2-11-14(12)15(22)17(24)20-16(11)23/h1-7H,8H2,(H,19,21)(H,20,23,24).
What are the key properties of 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide has a molecular weight of 326.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1,3,4-trioxoisoquinolin-5-yl)acetamide is sourced from PubChem (CID 11652763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).