2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid

C11H12FNO4 — CID 171396499

IUPAC2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
SMILESCCNC(=O)c1ccc(F)cc1OCC(=O)O
InChIInChI=1S/C11H12FNO4/c1-2-13-11(16)8-4-3-7(12)5-9(8)17-6-10(14)15/h3-5H,2,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPUKBKCUBZMZIQU-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid

2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid (PubChem CID 171396499) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
PubChem CID171396499
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
SMILESCCNC(=O)c1ccc(F)cc1OCC(=O)O
InChIInChI=1S/C11H12FNO4/c1-2-13-11(16)8-4-3-7(12)5-9(8)17-6-10(14)15/h3-5H,2,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPUKBKCUBZMZIQU-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
CID 155801592
2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
CID 127053810
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014372
ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
CID 69452500
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-5-methylphenoxy]acetic acid
CID 142035557
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
2-(2-acetyl-5-fluorophenoxy)-N-(cyanomethyl)acetamide
CID 63066965
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid?
The IUPAC name of 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid (CID 171396499) is 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid is CCNC(=O)c1ccc(F)cc1OCC(=O)O.
What is the InChIKey of 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid?
The InChIKey is PUKBKCUBZMZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-2-13-11(16)8-4-3-7(12)5-9(8)17-6-10(14)15/h3-5H,2,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid?
2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid has a molecular weight of 241.22 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid is sourced from PubChem (CID 171396499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).