N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide

C12H12FNO2 — CID 146127773

IUPACN-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H12FNO2/c1-7(14-8(2)15)12-6-9-5-10(13)3-4-11(9)16-12/h3-7H,1-2H3,(H,14,15)
InChIKeyJGEONMDVMNCXCV-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.77
Rot. Bonds2

About N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide

N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 146127773) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
PubChem CID146127773
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC NameN-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H12FNO2/c1-7(14-8(2)15)12-6-9-5-10(13)3-4-11(9)16-12/h3-7H,1-2H3,(H,14,15)
InChIKeyJGEONMDVMNCXCV-UHFFFAOYSA-N
XLogP2.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide (CID 146127773) is N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide is CC(=O)NC(C)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is JGEONMDVMNCXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7(14-8(2)15)12-6-9-5-10(13)3-4-11(9)16-12/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide?
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 221.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 146127773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).