N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide

C14H16FNO2 — CID 110488706

IUPACN-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1coc2ccc(F)cc12
InChIInChI=1S/C14H16FNO2/c1-14(2,3)16-13(17)6-9-8-18-12-5-4-10(15)7-11(9)12/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyYEFCYRRVWUQGLF-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.03
Rot. Bonds2

About N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide

N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide (PubChem CID 110488706) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
PubChem CID110488706
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1coc2ccc(F)cc12
InChIInChI=1S/C14H16FNO2/c1-14(2,3)16-13(17)6-9-8-18-12-5-4-10(15)7-11(9)12/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyYEFCYRRVWUQGLF-UHFFFAOYSA-N
XLogP3.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860149
3-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]propanoic acid
CID 110488680
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-(5-fluoro-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110488713
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
N-(3-chlorophenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860141
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110488687
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 110488794
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide (CID 110488706) is N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide is CC(C)(C)NC(=O)Cc1coc2ccc(F)cc12.
What is the InChIKey of N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The InChIKey is YEFCYRRVWUQGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-14(2,3)16-13(17)6-9-8-18-12-5-4-10(15)7-11(9)12/h4-5,7-8H,6H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide has a molecular weight of 249.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 110488706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).