5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

C18H16FNO3 — CID 9072285

IUPAC5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3cccc(F)c3)c(C)c2c1
InChIInChI=1S/C18H16FNO3/c1-3-22-14-7-8-16-15(10-14)11(2)17(23-16)18(21)20-13-6-4-5-12(19)9-13/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyZNORSZKJOKKXOT-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.53
Rot. Bonds4

About 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9072285) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9072285
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3cccc(F)c3)c(C)c2c1
InChIInChI=1S/C18H16FNO3/c1-3-22-14-7-8-16-15(10-14)11(2)17(23-16)18(21)20-13-6-4-5-12(19)9-13/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyZNORSZKJOKKXOT-UHFFFAOYSA-N
XLogP4.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8736736
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 9072285) is 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3cccc(F)c3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZNORSZKJOKKXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-3-22-14-7-8-16-15(10-14)11(2)17(23-16)18(21)20-13-6-4-5-12(19)9-13/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9072285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).