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

C15H15FN2O4 — CID 19702280

IUPAC2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(F)cc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15FN2O4/c16-9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-4,10-11H,5-7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyPDKOWBPYVOCIPW-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.06
Rot. Bonds5

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

2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702280) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702280
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(F)cc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H15FN2O4/c16-9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-4,10-11H,5-7H2,(H,19,20)(H2,17,18,21,22)
InChIKeyPDKOWBPYVOCIPW-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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Related Compounds

CID 236331
CID 236331
CID 90678719
CID 90678719
CID 3246142
CID 3246142
CID 13563117
CID 13563117
CID 19702158
CID 19702158
CID 19702172
CID 19702172
CID 19702184
CID 19702184
CID 19702206
CID 19702206
CID 19702207
CID 19702207
CID 19702219
CID 19702219
CID 19702225
CID 19702225
CID 19702238
CID 19702238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702280) is 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2ccc(F)cc2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is PDKOWBPYVOCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c16-9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-4,10-11H,5-7H2,(H,19,20)(H2,17,18,21,22).
What are the key properties of 2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[4-[2-(4-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-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).