2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

C11H9FN2O4 — CID 134494726

IUPAC2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O
InChIInChI=1S/C11H9FN2O4/c1-11(9(17)13-10(18)14-11)5-2-3-6(8(15)16)7(12)4-5/h2-4H,1H3,(H,15,16)(H2,13,14,17,18)
InChIKeyFKZDESBXPSKQSY-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.58
Rot. Bonds2

About 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 134494726) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID134494726
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O
InChIInChI=1S/C11H9FN2O4/c1-11(9(17)13-10(18)14-11)5-2-3-6(8(15)16)7(12)4-5/h2-4H,1H3,(H,15,16)(H2,13,14,17,18)
InChIKeyFKZDESBXPSKQSY-UHFFFAOYSA-N
XLogP0.58
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 134494726) is 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is CC1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O.
What is the InChIKey of 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is FKZDESBXPSKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-11(9(17)13-10(18)14-11)5-2-3-6(8(15)16)7(12)4-5/h2-4H,1H3,(H,15,16)(H2,13,14,17,18).
What are the key properties of 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid has a molecular weight of 252.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 134494726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).