2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C16H16Cl2F3NO4 — CID 139015212

IUPAC2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCCN(CC(O)C(F)(F)F)C(=O)Cc1coc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C16H16Cl2F3NO4/c1-25-5-4-22(7-12(23)16(19,20)21)13(24)6-9-8-26-15-10(9)2-3-11(17)14(15)18/h2-3,8,12,23H,4-7H2,1H3
InChIKeyWDKVJPAONCXFJH-UHFFFAOYSA-N
MW414.21 g/mol
LogP3.68
Rot. Bonds7

About 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 139015212) has the molecular formula C16H16Cl2F3NO4 and a molecular weight of 414.21 g/mol. Its IUPAC name is 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID139015212
Molecular FormulaC16H16Cl2F3NO4
Molecular Weight414.21 g/mol
Exact Mass413.04
IUPAC Name2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCCN(CC(O)C(F)(F)F)C(=O)Cc1coc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C16H16Cl2F3NO4/c1-25-5-4-22(7-12(23)16(19,20)21)13(24)6-9-8-26-15-10(9)2-3-11(17)14(15)18/h2-3,8,12,23H,4-7H2,1H3
InChIKeyWDKVJPAONCXFJH-UHFFFAOYSA-N
XLogP3.68
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide
CID 164641933
7-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)-1-benzofuran-4-carboxamide
CID 138023705
2-(5-chloro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110488748
2-(6-Chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 136554940
2-(6,7-Dichloro-1-benzofuran-3-yl)-1-(6-methyl-1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 138057625
(2S)-1-[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138057678
2-(6,7-Dichloro-1-benzofuran-3-yl)-1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
CID 154784628
2-(6,7-dichloro-1-benzofuran-3-yl)-1-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 154785053
2-[[2-(6,7-Dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 167911518
2-(6-chloro-7-methyl-1-benzofuran-3-yl)-1-[(3S,5S)-3,5-dihydroxypiperidin-1-yl]ethanone
CID 167948438

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 139015212) is 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is COCCN(CC(O)C(F)(F)F)C(=O)Cc1coc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is WDKVJPAONCXFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F3NO4/c1-25-5-4-22(7-12(23)16(19,20)21)13(24)6-9-8-26-15-10(9)2-3-11(17)14(15)18/h2-3,8,12,23H,4-7H2,1H3.
What are the key properties of 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 414.21 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-1-benzofuran-3-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 139015212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).