3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid

C11H8FNO4 — CID 60828364

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(N2C(=O)CCC2=O)c1
InChIInChI=1S/C11H8FNO4/c12-7-2-1-6(11(16)17)5-8(7)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyQQAGVKUDMSIPRJ-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.18
Rot. Bonds2

About 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid

3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid (PubChem CID 60828364) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid
PubChem CID60828364
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(N2C(=O)CCC2=O)c1
InChIInChI=1S/C11H8FNO4/c12-7-2-1-6(11(16)17)5-8(7)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyQQAGVKUDMSIPRJ-UHFFFAOYSA-N
XLogP1.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid 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

3-(3,5-dioxomorpholin-4-yl)-4-fluorobenzoic acid
CID 61326992
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid
CID 62930025
3-(1,3-dioxoisoindol-2-yl)-4-fluorobenzoic acid
CID 60828530
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-4-fluorobenzoic acid
CID 103979266
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzoic acid
CID 63743437
3-(3,5-dioxo-1,2,4-triazolidin-4-yl)-4-fluorobenzoic acid
CID 107409437
3-(2,5-dihydropyrrol-1-yl)-4-fluorobenzoic acid
CID 64680605
4-chloro-3-(2,7-dioxoazepan-1-yl)benzoic acid
CID 43446726
4-fluoro-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 60828845
3-(5-azaspiro[2.3]hexan-5-yl)-4-fluorobenzoic acid
CID 79694414
4-(2,5-dioxopyrrolidin-1-yl)-3-nitrobenzoic acid
CID 60702078
4-fluoro-3-(4-phenylpiperazin-1-yl)benzoic acid
CID 82537634

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid (CID 60828364) is 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid?
The InChIKey is QQAGVKUDMSIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-7-2-1-6(11(16)17)5-8(7)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid?
3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid has a molecular weight of 237.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid is sourced from PubChem (CID 60828364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).