2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid

C10H10FNO4 — CID 155801592

IUPAC2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
SMILESCNC(=O)c1ccc(F)cc1OCC(=O)O
InChIInChI=1S/C10H10FNO4/c1-12-10(15)7-3-2-6(11)4-8(7)16-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyFKIRGQLLVYKWQW-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.65
Rot. Bonds4

About 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid

2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid (PubChem CID 155801592) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
PubChem CID155801592
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
SMILESCNC(=O)c1ccc(F)cc1OCC(=O)O
InChIInChI=1S/C10H10FNO4/c1-12-10(15)7-3-2-6(11)4-8(7)16-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyFKIRGQLLVYKWQW-UHFFFAOYSA-N
XLogP0.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
CID 171396499
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909
2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
CID 127053810
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid
CID 20976229
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014372
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
CID 99976230

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid (CID 155801592) is 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid is CNC(=O)c1ccc(F)cc1OCC(=O)O.
What is the InChIKey of 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid?
The InChIKey is FKIRGQLLVYKWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-12-10(15)7-3-2-6(11)4-8(7)16-5-9(13)14/h2-4H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid?
2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid has a molecular weight of 227.19 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 155801592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).