4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid

C12H11FN2O4 — CID 134494561

IUPAC4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid
SMILESCCC1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O
InChIInChI=1S/C12H11FN2O4/c1-2-12(10(18)14-11(19)15-12)6-3-4-7(9(16)17)8(13)5-6/h3-5H,2H2,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyPTLSJANHIAJFTG-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.97
Rot. Bonds3

About 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid

4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid (PubChem CID 134494561) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid
PubChem CID134494561
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid
SMILESCCC1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O
InChIInChI=1S/C12H11FN2O4/c1-2-12(10(18)14-11(19)15-12)6-3-4-7(9(16)17)8(13)5-6/h3-5H,2H2,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyPTLSJANHIAJFTG-UHFFFAOYSA-N
XLogP0.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.97
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 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid?
The IUPAC name of 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid (CID 134494561) is 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid is CCC1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O.
What is the InChIKey of 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid?
The InChIKey is PTLSJANHIAJFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c1-2-12(10(18)14-11(19)15-12)6-3-4-7(9(16)17)8(13)5-6/h3-5H,2H2,1H3,(H,16,17)(H2,14,15,18,19).
What are the key properties of 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid?
4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid has a molecular weight of 266.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid is sourced from PubChem (CID 134494561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).