2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide

C18H16FNO2 — CID 7733151

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C18H16FNO2/c1-11-7-16-13(10-22-17(16)8-12(11)2)9-18(21)20-15-5-3-14(19)4-6-15/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyWCJALEAAJGFKLU-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.37
Rot. Bonds3

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 7733151) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID7733151
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C18H16FNO2/c1-11-7-16-13(10-22-17(16)8-12(11)2)9-18(21)20-15-5-3-14(19)4-6-15/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyWCJALEAAJGFKLU-UHFFFAOYSA-N
XLogP4.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78890275
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide
CID 18146505

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide (CID 7733151) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide is Cc1cc2occ(CC(=O)Nc3ccc(F)cc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is WCJALEAAJGFKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-11-7-16-13(10-22-17(16)8-12(11)2)9-18(21)20-15-5-3-14(19)4-6-15/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7733151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).