4-(2-acetamidoethoxy)-2-fluorobenzoic acid

C11H12FNO4 — CID 107675500

IUPAC4-(2-acetamidoethoxy)-2-fluorobenzoic acid
SMILESCC(=O)NCCOc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H12FNO4/c1-7(14)13-4-5-17-8-2-3-9(11(15)16)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyMPGQHMBFTAENHJ-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.04
Rot. Bonds5

About 4-(2-acetamidoethoxy)-2-fluorobenzoic acid

4-(2-acetamidoethoxy)-2-fluorobenzoic acid (PubChem CID 107675500) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-(2-acetamidoethoxy)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2-acetamidoethoxy)-2-fluorobenzoic acid
PubChem CID107675500
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-(2-acetamidoethoxy)-2-fluorobenzoic acid
SMILESCC(=O)NCCOc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H12FNO4/c1-7(14)13-4-5-17-8-2-3-9(11(15)16)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyMPGQHMBFTAENHJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377
2-fluoro-4-(2-methylsulfanylethoxy)benzoic acid
CID 107675263
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675462
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
4-[2-(cyanomethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675288
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethoxy)-2-fluorobenzoic acid?
The IUPAC name of 4-(2-acetamidoethoxy)-2-fluorobenzoic acid (CID 107675500) is 4-(2-acetamidoethoxy)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2-acetamidoethoxy)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2-acetamidoethoxy)-2-fluorobenzoic acid is CC(=O)NCCOc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(2-acetamidoethoxy)-2-fluorobenzoic acid?
The InChIKey is MPGQHMBFTAENHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-7(14)13-4-5-17-8-2-3-9(11(15)16)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(2-acetamidoethoxy)-2-fluorobenzoic acid?
4-(2-acetamidoethoxy)-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-acetamidoethoxy)-2-fluorobenzoic acid is sourced from PubChem (CID 107675500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).