4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid

C10H9FN2O3 — CID 28740437

IUPAC4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1N1CCNC1=O
InChIInChI=1S/C10H9FN2O3/c11-6-1-2-7(9(14)15)8(5-6)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
InChIKeyJRMFIFSAIQQRAN-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.05
Rot. Bonds2

About 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid

4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid (PubChem CID 28740437) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
PubChem CID28740437
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1N1CCNC1=O
InChIInChI=1S/C10H9FN2O3/c11-6-1-2-7(9(14)15)8(5-6)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
InChIKeyJRMFIFSAIQQRAN-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid
CID 63111678
4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703309
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 115370846
1-(5-chloro-2-fluorophenyl)imidazolidin-2-one
CID 115370461
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
2-oxo-2-[2-(2-oxoimidazolidin-1-yl)phenyl]acetic acid
CID 117339910
4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 67177212
methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
CID 59456871
5-iodo-2-(2-oxo-1,3-diazinan-1-yl)benzoic acid
CID 63111688
2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
CID 83848758

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid (CID 28740437) is 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid is O=C(O)c1ccc(F)cc1N1CCNC1=O.
What is the InChIKey of 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid?
The InChIKey is JRMFIFSAIQQRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-6-1-2-7(9(14)15)8(5-6)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15).
What are the key properties of 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid?
4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid has a molecular weight of 224.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid is sourced from PubChem (CID 28740437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).