4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide

C22H22N2O3 — CID 55802388

IUPAC4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C22H22N2O3/c1-2-23-22(26)14-6-8-18(9-7-14)24-21(25)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyZIZYUNNRMOIDLM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.85
Rot. Bonds5

About 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide

4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 55802388) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID55802388
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C22H22N2O3/c1-2-23-22(26)14-6-8-18(9-7-14)24-21(25)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyZIZYUNNRMOIDLM-UHFFFAOYSA-N
XLogP3.85
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 26213313
N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 60532623
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22830887
N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 55675441
N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 26711149
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 2463764
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 46524962
N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 4847739
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-ethoxypropyl)acetamide
CID 29292252
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-hydroxypropyl)acetamide
CID 78798042
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51154057

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide (CID 55802388) is 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1.
What is the InChIKey of 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is ZIZYUNNRMOIDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-23-22(26)14-6-8-18(9-7-14)24-21(25)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide?
4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 55802388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).