2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide

C20H18FNO2 — CID 22830887

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1F
InChIInChI=1S/C20H18FNO2/c1-12-5-6-16(10-18(12)21)22-20(23)9-15-11-24-19-8-14-4-2-3-13(14)7-17(15)19/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)
InChIKeyBHLKUMJHPOTXKH-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.55
Rot. Bonds3

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 22830887) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID22830887
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1F
InChIInChI=1S/C20H18FNO2/c1-12-5-6-16(10-18(12)21)22-20(23)9-15-11-24-19-8-14-4-2-3-13(14)7-17(15)19/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)
InChIKeyBHLKUMJHPOTXKH-UHFFFAOYSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 22830887) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1F.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is BHLKUMJHPOTXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-12-5-6-16(10-18(12)21)22-20(23)9-15-11-24-19-8-14-4-2-3-13(14)7-17(15)19/h5-8,10-11H,2-4,9H2,1H3,(H,22,23).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 22830887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).