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

C18H15F2NO2 — CID 18859346

IUPACN-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cc(F)ccc3F)coc2c1
InChIInChI=1S/C18H15F2NO2/c1-10-5-11(2)18-12(9-23-16(18)6-10)7-17(22)21-15-8-13(19)3-4-14(15)20/h3-6,8-9H,7H2,1-2H3,(H,21,22)
InChIKeyLOKNPXLBFHCBDM-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.51
Rot. Bonds3

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

N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 18859346) has the molecular formula C18H15F2NO2 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID18859346
Molecular FormulaC18H15F2NO2
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC NameN-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cc(F)ccc3F)coc2c1
InChIInChI=1S/C18H15F2NO2/c1-10-5-11(2)18-12(9-23-16(18)6-10)7-17(22)21-15-8-13(19)3-4-14(15)20/h3-6,8-9H,7H2,1-2H3,(H,21,22)
InChIKeyLOKNPXLBFHCBDM-UHFFFAOYSA-N
XLogP4.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860149
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045612
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18861355
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 18859346) is N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3cc(F)ccc3F)coc2c1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is LOKNPXLBFHCBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2/c1-10-5-11(2)18-12(9-23-16(18)6-10)7-17(22)21-15-8-13(19)3-4-14(15)20/h3-6,8-9H,7H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 315.32 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18859346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).