N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide

C18H16FNO2 — CID 18860149

IUPACN-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2coc3ccc(F)cc23)c1
InChIInChI=1S/C18H16FNO2/c1-11-3-4-12(2)16(7-11)20-18(21)8-13-10-22-17-6-5-14(19)9-15(13)17/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyGISBXXVIMOUVQO-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.37
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide

N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide (PubChem CID 18860149) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
PubChem CID18860149
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC NameN-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2coc3ccc(F)cc23)c1
InChIInChI=1S/C18H16FNO2/c1-11-3-4-12(2)16(7-11)20-18(21)8-13-10-22-17-6-5-14(19)9-15(13)17/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyGISBXXVIMOUVQO-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

N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 110488706
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
3-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]propanoic acid
CID 110488680
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(3-chlorophenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860141
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18859346
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide (CID 18860149) is N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide is Cc1ccc(C)c(NC(=O)Cc2coc3ccc(F)cc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The InChIKey is GISBXXVIMOUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-11-3-4-12(2)16(7-11)20-18(21)8-13-10-22-17-6-5-14(19)9-15(13)17/h3-7,9-10H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)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 N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18860149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).