2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide

C17H17BrF2N2O2 — CID 9288819

IUPAC2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCN(CCOc1ccc(Br)cc1)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17BrF2N2O2/c1-22(9-10-24-13-7-5-12(18)6-8-13)11-16(23)21-17-14(19)3-2-4-15(17)20/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyVNXXJAGXMBWCSG-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.68
Rot. Bonds7

About 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide

2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 9288819) has the molecular formula C17H17BrF2N2O2 and a molecular weight of 399.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
PubChem CID9288819
Molecular FormulaC17H17BrF2N2O2
Molecular Weight399.24 g/mol
Exact Mass398.04
IUPAC Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCN(CCOc1ccc(Br)cc1)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17BrF2N2O2/c1-22(9-10-24-13-7-5-12(18)6-8-13)11-16(23)21-17-14(19)3-2-4-15(17)20/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyVNXXJAGXMBWCSG-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8675847
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9041183
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide (CID 9288819) is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide is CN(CCOc1ccc(Br)cc1)CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is VNXXJAGXMBWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O2/c1-22(9-10-24-13-7-5-12(18)6-8-13)11-16(23)21-17-14(19)3-2-4-15(17)20/h2-8H,9-11H2,1H3,(H,21,23).
What are the key properties of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide?
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 399.24 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 9288819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).