2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

C27H24FNO5 — CID 1046076

IUPAC2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1OCC
InChIInChI=1S/C27H24FNO5/c1-3-32-22-14-9-17(15-23(22)33-4-2)16-24(30)29-25-20-7-5-6-8-21(20)34-27(25)26(31)18-10-12-19(28)13-11-18/h5-15H,3-4,16H2,1-2H3,(H,29,30)
InChIKeyYEFOWRFPDMPELT-UHFFFAOYSA-N
MW461.49 g/mol
LogP5.78
Rot. Bonds9

About 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 1046076) has the molecular formula C27H24FNO5 and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID1046076
Molecular FormulaC27H24FNO5
Molecular Weight461.49 g/mol
Exact Mass461.16
IUPAC Name2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1OCC
InChIInChI=1S/C27H24FNO5/c1-3-32-22-14-9-17(15-23(22)33-4-2)16-24(30)29-25-20-7-5-6-8-21(20)34-27(25)26(31)18-10-12-19(28)13-11-18/h5-15H,3-4,16H2,1-2H3,(H,29,30)
InChIKeyYEFOWRFPDMPELT-UHFFFAOYSA-N
XLogP5.78
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide (CID 1046076) is 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide is CCOc1ccc(CC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is YEFOWRFPDMPELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO5/c1-3-32-22-14-9-17(15-23(22)33-4-2)16-24(30)29-25-20-7-5-6-8-21(20)34-27(25)26(31)18-10-12-19(28)13-11-18/h5-15H,3-4,16H2,1-2H3,(H,29,30).
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 461.49 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 1046076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).