2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide

C22H17F2NO2 — CID 18112615

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2NO2/c1-13(15-6-8-18(23)19(24)10-15)25-21(26)11-16-12-27-20-9-7-14-4-2-3-5-17(14)22(16)20/h2-10,12-13H,11H2,1H3,(H,25,26)
InChIKeyHLTGYQWTHIOYRZ-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.28
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide (PubChem CID 18112615) has the molecular formula C22H17F2NO2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
PubChem CID18112615
Molecular FormulaC22H17F2NO2
Molecular Weight365.38 g/mol
Exact Mass365.12
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2NO2/c1-13(15-6-8-18(23)19(24)10-15)25-21(26)11-16-12-27-20-9-7-14-4-2-3-5-17(14)22(16)20/h2-10,12-13H,11H2,1H3,(H,25,26)
InChIKeyHLTGYQWTHIOYRZ-UHFFFAOYSA-N
XLogP5.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700530
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 93234966
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7964952
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
2-benzo[e][1]benzofuran-1-yl-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928316
2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 86906340

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide (CID 18112615) is 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(F)c(F)c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The InChIKey is HLTGYQWTHIOYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO2/c1-13(15-6-8-18(23)19(24)10-15)25-21(26)11-16-12-27-20-9-7-14-4-2-3-5-17(14)22(16)20/h2-10,12-13H,11H2,1H3,(H,25,26).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide has a molecular weight of 365.38 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18112615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).