N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C12H12FNO3 — CID 18169026

IUPACN-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCONC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C12H12FNO3/c1-3-16-14-12(15)11-7(2)9-6-8(13)4-5-10(9)17-11/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeySWZLMUVHLUPUAC-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.56
Rot. Bonds3

About N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 18169026) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID18169026
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC NameN-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCONC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C12H12FNO3/c1-3-16-14-12(15)11-7(2)9-6-8(13)4-5-10(9)17-11/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeySWZLMUVHLUPUAC-UHFFFAOYSA-N
XLogP2.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
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
N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18165923
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
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]ethoxy]acetic acid
CID 79468905
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 18169026) is N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCONC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SWZLMUVHLUPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-3-16-14-12(15)11-7(2)9-6-8(13)4-5-10(9)17-11/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18169026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).