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

C21H20FNO2 — CID 24899958

IUPAC2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
SMILESC1CCC2=C(CC1)OC3=C2C=C(C=C3)NC(=O)CC4=CC=C(C=C4)F
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
MW337.40 g/mol
LogP5.00
Rot. Bonds3

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

2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-2-yl)acetamide (PubChem CID 24899958) has the molecular formula C21H20FNO2 and a molecular weight of 337.40 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-benzo[b]cyclohepta[d]furan-2-yl)acetamide
PubChem CID24899958
Molecular FormulaC21H20FNO2
Molecular Weight337.40 g/mol
Exact Mass337.15
IUPAC Name2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
SMILESC1CCC2=C(CC1)OC3=C2C=C(C=C3)NC(=O)CC4=CC=C(C=C4)F
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
XLogP5.00
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity463

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-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-benzo[b]cyclohepta[d]furan-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-2-yl)acetamide is C1CCC2=C(CC1)OC3=C2C=C(C=C3)NC(=O)CC4=CC=C(C=C4)F.
What is the InChIKey of 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-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-benzo[b]cyclohepta[d]furan-2-yl)acetamide?
2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-2-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(7,8,9,10-tetrahydro-6H-benzo[b]cyclohepta[d]furan-2-yl)acetamide is sourced from PubChem (CID 24899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).