2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

C11H8F2N2O4 — CID 134494537

IUPAC2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)c(F)c2F)NC(=O)NC1=O
InChIInChI=1S/C11H8F2N2O4/c1-11(9(18)14-10(19)15-11)5-3-2-4(8(16)17)6(12)7(5)13/h2-3H,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyFXSZOMMPXUOUKK-UHFFFAOYSA-N
MW270.19 g/mol
LogP0.72
Rot. Bonds2

About 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 134494537) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID134494537
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)c(F)c2F)NC(=O)NC1=O
InChIInChI=1S/C11H8F2N2O4/c1-11(9(18)14-10(19)15-11)5-3-2-4(8(16)17)6(12)7(5)13/h2-3H,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyFXSZOMMPXUOUKK-UHFFFAOYSA-N
XLogP0.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 50.72
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 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 134494537) is 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is CC1(c2ccc(C(=O)O)c(F)c2F)NC(=O)NC1=O.
What is the InChIKey of 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is FXSZOMMPXUOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c1-11(9(18)14-10(19)15-11)5-3-2-4(8(16)17)6(12)7(5)13/h2-3H,1H3,(H,16,17)(H2,14,15,18,19).
What are the key properties of 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid has a molecular weight of 270.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 134494537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).