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

C21H19NO3 — CID 4885289

IUPACN-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1
InChIInChI=1S/C21H19NO3/c1-13(23)14-4-3-7-18(8-14)22-21(24)11-17-12-25-20-10-16-6-2-5-15(16)9-19(17)20/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,24)
InChIKeyZJIBFPJTRDEEOX-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.31
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 4885289) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID4885289
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1
InChIInChI=1S/C21H19NO3/c1-13(23)14-4-3-7-18(8-14)22-21(24)11-17-12-25-20-10-16-6-2-5-15(16)9-19(17)20/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,24)
InChIKeyZJIBFPJTRDEEOX-UHFFFAOYSA-N
XLogP4.31
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 4885289) is N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is ZJIBFPJTRDEEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-13(23)14-4-3-7-18(8-14)22-21(24)11-17-12-25-20-10-16-6-2-5-15(16)9-19(17)20/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 4885289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).