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

C12H15F3N2O3 — CID 60998059

IUPAC2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(C(NCC(F)(F)F)C(N)=O)c(OC)c1
InChIInChI=1S/C12H15F3N2O3/c1-19-7-3-4-8(9(5-7)20-2)10(11(16)18)17-6-12(13,14)15/h3-5,10,17H,6H2,1-2H3,(H2,16,18)
InChIKeyCZNXWUWEZGVQJF-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.38
Rot. Bonds6

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

2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60998059) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60998059
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(C(NCC(F)(F)F)C(N)=O)c(OC)c1
InChIInChI=1S/C12H15F3N2O3/c1-19-7-3-4-8(9(5-7)20-2)10(11(16)18)17-6-12(13,14)15/h3-5,10,17H,6H2,1-2H3,(H2,16,18)
InChIKeyCZNXWUWEZGVQJF-UHFFFAOYSA-N
XLogP1.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4882752
6-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)-piperazin-2-one
CID 69082599
(2S)-2-amino-4-[(2,4-dimethoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one
CID 11473127
N-(2,4-dimethoxybenzyl)-1-isopropyl-5-oxoprolinamide
CID 3674099
US11014963, Example 130
CID 137365636
US11014963, Example 151
CID 137365645
Octadec-9-enoic acid 2,4,6-trimethoxy-benzylamide
CID 11754065
N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 24980056
N-[cyano(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide
CID 75378514
N-(2,4-Dimethoxybenzyl)dodecanamide
CID 76327071
(3S,5S)-3-amino-5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 118731951
(3R,5S)-3-amino-5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 118731952

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 60998059) is 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1ccc(C(NCC(F)(F)F)C(N)=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is CZNXWUWEZGVQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-7-3-4-8(9(5-7)20-2)10(11(16)18)17-6-12(13,14)15/h3-5,10,17H,6H2,1-2H3,(H2,16,18).
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 292.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60998059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).