2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

C15H15FN2O4 — CID 19702158

IUPAC2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccccc2F)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15FN2O4/c16-11-4-2-1-3-8(11)5-6-15(10-7-9(10)12(19)20)13(21)17-14(22)18-15/h1-4,9-10H,5-7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyXDGOSYGTQNQVOI-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.06
Rot. Bonds5

About 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702158) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702158
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccccc2F)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15FN2O4/c16-11-4-2-1-3-8(11)5-6-15(10-7-9(10)12(19)20)13(21)17-14(22)18-15/h1-4,9-10H,5-7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyXDGOSYGTQNQVOI-UHFFFAOYSA-N
XLogP1.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.06
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-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702158) is 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2ccccc2F)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is XDGOSYGTQNQVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c16-11-4-2-1-3-8(11)5-6-15(10-7-9(10)12(19)20)13(21)17-14(22)18-15/h1-4,9-10H,5-7H2,(H,19,20)(H2,17,18,21,22).
What are the key properties of 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 306.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).