5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide

C13H14FNO4 — CID 79675667

IUPAC5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCONC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C13H14FNO4/c1-8-10-7-9(14)3-4-11(10)19-12(8)13(16)15-18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeySWUWKIXBXQZSQT-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.19
Rot. Bonds5

About 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 79675667) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID79675667
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCONC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C13H14FNO4/c1-8-10-7-9(14)3-4-11(10)19-12(8)13(16)15-18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeySWUWKIXBXQZSQT-UHFFFAOYSA-N
XLogP2.19
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81085318
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
CID 120702425
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950534
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-methylpentanoic acid
CID 119212059

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide (CID 79675667) is 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide is COCCONC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SWUWKIXBXQZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-8-10-7-9(14)3-4-11(10)19-12(8)13(16)15-18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79675667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).