2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H14BrF3N2O3 — CID 60998663

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1cc(Br)c(C(NCC(F)(F)F)C(N)=O)cc1OC
InChIInChI=1S/C12H14BrF3N2O3/c1-20-8-3-6(7(13)4-9(8)21-2)10(11(17)19)18-5-12(14,15)16/h3-4,10,18H,5H2,1-2H3,(H2,17,19)
InChIKeyWUXCNJQQBQTGOM-UHFFFAOYSA-N
MW371.15 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60998663) has the molecular formula C12H14BrF3N2O3 and a molecular weight of 371.15 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60998663
Molecular FormulaC12H14BrF3N2O3
Molecular Weight371.15 g/mol
Exact Mass370.01
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1cc(Br)c(C(NCC(F)(F)F)C(N)=O)cc1OC
InChIInChI=1S/C12H14BrF3N2O3/c1-20-8-3-6(7(13)4-9(8)21-2)10(11(17)19)18-5-12(14,15)16/h3-4,10,18H,5H2,1-2H3,(H2,17,19)
InChIKeyWUXCNJQQBQTGOM-UHFFFAOYSA-N
XLogP2.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 60998663) is 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1cc(Br)c(C(NCC(F)(F)F)C(N)=O)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WUXCNJQQBQTGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O3/c1-20-8-3-6(7(13)4-9(8)21-2)10(11(17)19)18-5-12(14,15)16/h3-4,10,18H,5H2,1-2H3,(H2,17,19).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 371.15 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60998663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).