3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide

C11H9F2NO2 — CID 143317392

IUPAC3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide
SMILESCCc1c(C(N)=O)oc2c(F)cc(F)cc12
InChIInChI=1S/C11H9F2NO2/c1-2-6-7-3-5(12)4-8(13)9(7)16-10(6)11(14)15/h3-4H,2H2,1H3,(H2,14,15)
InChIKeyYVFAVJMYVZHICP-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.37
Rot. Bonds2

About 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide

3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide (PubChem CID 143317392) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide
PubChem CID143317392
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide
SMILESCCc1c(C(N)=O)oc2c(F)cc(F)cc12
InChIInChI=1S/C11H9F2NO2/c1-2-6-7-3-5(12)4-8(13)9(7)16-10(6)11(14)15/h3-4H,2H2,1H3,(H2,14,15)
InChIKeyYVFAVJMYVZHICP-UHFFFAOYSA-N
XLogP2.37
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide
CID 23148988
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155094
3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide
CID 68974673
3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide
CID 175851808
methyl 5,7-difluoro-3-methyl-1-benzofuran-2-carboxylate
CID 166532199
7-chloro-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
CID 114359108
2-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 174865595
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 66777401
N-[1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropylidene]hydroxylamine
CID 171578990
2-ethyl-3,5-difluorophenol
CID 131273539
5-fluoro-3-[(4-fluorobenzoyl)amino]-7-hydroxy-1-benzofuran-2-carboxamide
CID 23148992

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide (CID 143317392) is 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide is CCc1c(C(N)=O)oc2c(F)cc(F)cc12.
What is the InChIKey of 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide?
The InChIKey is YVFAVJMYVZHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-2-6-7-3-5(12)4-8(13)9(7)16-10(6)11(14)15/h3-4H,2H2,1H3,(H2,14,15).
What are the key properties of 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide?
3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide has a molecular weight of 225.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 143317392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).