2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide

C13H14FNO3 — CID 110488687

IUPAC2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cc1coc2ccc(F)cc12
InChIInChI=1S/C13H14FNO3/c1-15(4-5-16)13(17)6-9-8-18-12-3-2-10(14)7-11(9)12/h2-3,7-8,16H,4-6H2,1H3
InChIKeyWWBKYVBUCFIBJU-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.57
Rot. Bonds4

About 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide

2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 110488687) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID110488687
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cc1coc2ccc(F)cc12
InChIInChI=1S/C13H14FNO3/c1-15(4-5-16)13(17)6-9-8-18-12-3-2-10(14)7-11(9)12/h2-3,7-8,16H,4-6H2,1H3
InChIKeyWWBKYVBUCFIBJU-UHFFFAOYSA-N
XLogP1.57
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(5-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 110488782
N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 110488706
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18860713
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
3-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]propanoic acid
CID 110488680
N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860149
N,N-diethyl-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 110488649
2-(5-fluoro-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110488713
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860692
3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
CID 117174340

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide (CID 110488687) is 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)Cc1coc2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is WWBKYVBUCFIBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-15(4-5-16)13(17)6-9-8-18-12-3-2-10(14)7-11(9)12/h2-3,7-8,16H,4-6H2,1H3.
What are the key properties of 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 251.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 110488687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).