2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid

C14H14FNO5 — CID 79468905

IUPAC2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
SMILESCc1c(C(=O)NCCOCC(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C14H14FNO5/c1-8-10-6-9(15)2-3-11(10)21-13(8)14(19)16-4-5-20-7-12(17)18/h2-3,6H,4-5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZBPOKMXHTQURHP-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.71
Rot. Bonds6

About 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid

2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79468905) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
PubChem CID79468905
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
SMILESCc1c(C(=O)NCCOCC(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C14H14FNO5/c1-8-10-6-9(15)2-3-11(10)21-13(8)14(19)16-4-5-20-7-12(17)18/h2-3,6H,4-5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZBPOKMXHTQURHP-UHFFFAOYSA-N
XLogP1.71
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55903792
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81085318
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950534
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
5-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 118984853

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid (CID 79468905) is 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid is Cc1c(C(=O)NCCOCC(=O)O)oc2ccc(F)cc12.
What is the InChIKey of 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is ZBPOKMXHTQURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-8-10-6-9(15)2-3-11(10)21-13(8)14(19)16-4-5-20-7-12(17)18/h2-3,6H,4-5,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 295.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79468905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).