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

C25H20FNO4 — CID 3324906

IUPAC2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1
InChIInChI=1S/C25H20FNO4/c1-2-16-7-13-19(14-8-16)30-15-22(28)27-23-20-5-3-4-6-21(20)31-25(23)24(29)17-9-11-18(26)12-10-17/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyFGRQLCBYCCTJNC-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.38
Rot. Bonds7

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

2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 3324906) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID3324906
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1
InChIInChI=1S/C25H20FNO4/c1-2-16-7-13-19(14-8-16)30-15-22(28)27-23-20-5-3-4-6-21(20)31-25(23)24(29)17-9-11-18(26)12-10-17/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyFGRQLCBYCCTJNC-UHFFFAOYSA-N
XLogP5.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 23473308
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
CID 139582398
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
CID 4550795

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide (CID 3324906) is 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide is CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is FGRQLCBYCCTJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-2-16-7-13-19(14-8-16)30-15-22(28)27-23-20-5-3-4-6-21(20)31-25(23)24(29)17-9-11-18(26)12-10-17/h3-14H,2,15H2,1H3,(H,27,28).
What are the key properties of 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 417.44 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 3324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).