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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Related Compounds

(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 135378033
N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047066
1-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 100700326
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide
CID 166245378
1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 119035185
N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047453
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778

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).