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

C12H10FNO5 — CID 60708400

IUPAC2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
SMILESCc1c(C(=O)NOCC(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C12H10FNO5/c1-6-8-4-7(13)2-3-9(8)19-11(6)12(17)14-18-5-10(15)16/h2-4H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyBNJSOZKGPZGQIK-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.63
Rot. Bonds4

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

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid (PubChem CID 60708400) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
PubChem CID60708400
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
SMILESCc1c(C(=O)NOCC(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C12H10FNO5/c1-6-8-4-7(13)2-3-9(8)19-11(6)12(17)14-18-5-10(15)16/h2-4H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyBNJSOZKGPZGQIK-UHFFFAOYSA-N
XLogP1.63
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81085318
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
CID 120702425
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid (CID 60708400) is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid is Cc1c(C(=O)NOCC(=O)O)oc2ccc(F)cc12.
What is the InChIKey of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid?
The InChIKey is BNJSOZKGPZGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c1-6-8-4-7(13)2-3-9(8)19-11(6)12(17)14-18-5-10(15)16/h2-4H,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid?
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid has a molecular weight of 267.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 60708400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).