2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

C15H14F2N2O4 — CID 19702207

IUPAC2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(F)c(F)c2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H14F2N2O4/c16-10-2-1-7(5-11(10)17)3-4-15(9-6-8(9)12(20)21)13(22)18-14(23)19-15/h1-2,5,8-9H,3-4,6H2,(H,20,21)(H2,18,19,22,23)
InChIKeyGVVBETWYKSEKLD-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.20
Rot. Bonds5

About 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702207) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702207
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(F)c(F)c2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H14F2N2O4/c16-10-2-1-7(5-11(10)17)3-4-15(9-6-8(9)12(20)21)13(22)18-14(23)19-15/h1-2,5,8-9H,3-4,6H2,(H,20,21)(H2,18,19,22,23)
InChIKeyGVVBETWYKSEKLD-UHFFFAOYSA-N
XLogP1.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.20
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-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702207) is 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2ccc(F)c(F)c2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is GVVBETWYKSEKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c16-10-2-1-7(5-11(10)17)3-4-15(9-6-8(9)12(20)21)13(22)18-14(23)19-15/h1-2,5,8-9H,3-4,6H2,(H,20,21)(H2,18,19,22,23).
What are the key properties of 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 324.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).