2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide

C19H20FNO3 — CID 3893924

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3ccccc3F)c2O1
InChIInChI=1S/C19H20FNO3/c1-19(2)10-13-7-5-9-16(18(13)24-19)23-12-17(22)21-11-14-6-3-4-8-15(14)20/h3-9H,10-12H2,1-2H3,(H,21,22)
InChIKeyCBVBPAZSFVWISA-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.23
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 3893924) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID3893924
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3ccccc3F)c2O1
InChIInChI=1S/C19H20FNO3/c1-19(2)10-13-7-5-9-16(18(13)24-19)23-12-17(22)21-11-14-6-3-4-8-15(14)20/h3-9H,10-12H2,1-2H3,(H,21,22)
InChIKeyCBVBPAZSFVWISA-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide (CID 3893924) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCc3ccccc3F)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is CBVBPAZSFVWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(2)10-13-7-5-9-16(18(13)24-19)23-12-17(22)21-11-14-6-3-4-8-15(14)20/h3-9H,10-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 329.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3893924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).