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

C20H13F2NO2 — CID 4799876

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H13F2NO2/c21-14-6-7-17(16(22)10-14)23-19(24)9-13-11-25-18-8-5-12-3-1-2-4-15(12)20(13)18/h1-8,10-11H,9H2,(H,23,24)
InChIKeyRPYNXYDBGMNFAT-UHFFFAOYSA-N
MW337.33 g/mol
LogP5.05
Rot. Bonds3

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

2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide (PubChem CID 4799876) has the molecular formula C20H13F2NO2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
PubChem CID4799876
Molecular FormulaC20H13F2NO2
Molecular Weight337.33 g/mol
Exact Mass337.09
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H13F2NO2/c21-14-6-7-17(16(22)10-14)23-19(24)9-13-11-25-18-8-5-12-3-1-2-4-15(12)20(13)18/h1-8,10-11H,9H2,(H,23,24)
InChIKeyRPYNXYDBGMNFAT-UHFFFAOYSA-N
XLogP5.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.33
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737741
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 4728261
2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 18112615
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7964952
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 29219272
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide (CID 4799876) is 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(F)cc1F.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is RPYNXYDBGMNFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO2/c21-14-6-7-17(16(22)10-14)23-19(24)9-13-11-25-18-8-5-12-3-1-2-4-15(12)20(13)18/h1-8,10-11H,9H2,(H,23,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide has a molecular weight of 337.33 g/mol, XLogP of 5.05, 3 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 4799876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).