2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide

C21H20F2N2O3 — CID 86916060

IUPAC2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(F)c(F)c1
InChIInChI=1S/C21H20F2N2O3/c1-11-6-15-14(10-28-18(15)7-12(11)2)9-19(26)25-20(21(27)24-3)13-4-5-16(22)17(23)8-13/h4-8,10,20H,9H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyNKIMEDMTKNMBBT-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.47
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide

2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide (PubChem CID 86916060) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
PubChem CID86916060
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(F)c(F)c1
InChIInChI=1S/C21H20F2N2O3/c1-11-6-15-14(10-28-18(15)7-12(11)2)9-19(26)25-20(21(27)24-3)13-4-5-16(22)17(23)8-13/h4-8,10,20H,9H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyNKIMEDMTKNMBBT-UHFFFAOYSA-N
XLogP3.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]acetamide
CID 55483919
N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 134051678
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide
CID 55501858
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 78834542
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134051720
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
CID 42897715
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134051712

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide (CID 86916060) is 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide is CNC(=O)C(NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide?
The InChIKey is NKIMEDMTKNMBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-11-6-15-14(10-28-18(15)7-12(11)2)9-19(26)25-20(21(27)24-3)13-4-5-16(22)17(23)8-13/h4-8,10,20H,9H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide?
2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide has a molecular weight of 386.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 86916060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).