2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide

C24H20FNO5 — CID 161248470

IUPAC2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide
SMILESCCC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OCC(=O)NCc3ccco3)cc12
InChIInChI=1S/C24H20FNO5/c1-2-20(27)23-19-12-17(30-14-22(28)26-13-18-4-3-11-29-18)9-10-21(19)31-24(23)15-5-7-16(25)8-6-15/h3-12H,2,13-14H2,1H3,(H,26,28)
InChIKeyVAYKDFAWYRFRIY-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.12
Rot. Bonds8

About 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide

2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 161248470) has the molecular formula C24H20FNO5 and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID161248470
Molecular FormulaC24H20FNO5
Molecular Weight421.42 g/mol
Exact Mass421.13
IUPAC Name2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide
SMILESCCC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OCC(=O)NCc3ccco3)cc12
InChIInChI=1S/C24H20FNO5/c1-2-20(27)23-19-12-17(30-14-22(28)26-13-18-4-3-11-29-18)9-10-21(19)31-24(23)15-5-7-16(25)8-6-15/h3-12H,2,13-14H2,1H3,(H,26,28)
InChIKeyVAYKDFAWYRFRIY-UHFFFAOYSA-N
XLogP5.12
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide
CID 2085084

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide (CID 161248470) is 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide is CCC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OCC(=O)NCc3ccco3)cc12.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VAYKDFAWYRFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO5/c1-2-20(27)23-19-12-17(30-14-22(28)26-13-18-4-3-11-29-18)9-10-21(19)31-24(23)15-5-7-16(25)8-6-15/h3-12H,2,13-14H2,1H3,(H,26,28).
What are the key properties of 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 421.42 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 161248470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).