4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid

C11H12FNO4 — CID 107675462

IUPAC4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
SMILESCCNC(=O)COc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H12FNO4/c1-2-13-10(14)6-17-7-3-4-8(11(15)16)9(12)5-7/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCPCDOUVYIVAJPY-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.04
Rot. Bonds5

About 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid

4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid (PubChem CID 107675462) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
PubChem CID107675462
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
SMILESCCNC(=O)COc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H12FNO4/c1-2-13-10(14)6-17-7-3-4-8(11(15)16)9(12)5-7/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCPCDOUVYIVAJPY-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

4-[2-(cyanomethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675288
5-[2-(ethylamino)-2-oxoethoxy]-2-nitrobenzoic acid
CID 102739598
4-(2-acetamidoethoxy)-2-fluorobenzoic acid
CID 107675500
2-methyl-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid
CID 107671260
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
2-fluoro-4-(2-methylsulfanylethoxy)benzoic acid
CID 107675263
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82165953
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid (CID 107675462) is 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid is CCNC(=O)COc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid?
The InChIKey is CPCDOUVYIVAJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-2-13-10(14)6-17-7-3-4-8(11(15)16)9(12)5-7/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid?
4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic 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 4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid is sourced from PubChem (CID 107675462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).