2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide

C21H20FNO2 — CID 24899958

IUPAC2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2oc3c(c2c1)CCCCC3
InChIInChI=1S/C21H20FNO2/c22-15-8-6-14(7-9-15)12-21(24)23-16-10-11-20-18(13-16)17-4-2-1-3-5-19(17)25-20/h6-11,13H,1-5,12H2,(H,23,24)
InChIKeyFZYBXGNFBMFBBY-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.02
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide

2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide (PubChem CID 24899958) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
PubChem CID24899958
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2oc3c(c2c1)CCCCC3
InChIInChI=1S/C21H20FNO2/c22-15-8-6-14(7-9-15)12-21(24)23-16-10-11-20-18(13-16)17-4-2-1-3-5-19(17)25-20/h6-11,13H,1-5,12H2,(H,23,24)
InChIKeyFZYBXGNFBMFBBY-UHFFFAOYSA-N
XLogP5.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide (CID 24899958) is 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc2oc3c(c2c1)CCCCC3.
What is the InChIKey of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
The InChIKey is FZYBXGNFBMFBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c22-15-8-6-14(7-9-15)12-21(24)23-16-10-11-20-18(13-16)17-4-2-1-3-5-19(17)25-20/h6-11,13H,1-5,12H2,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide has a molecular weight of 337.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide is sourced from PubChem (CID 24899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).