N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide

C12H14F3NO4 — CID 597490

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C(O)CNC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C12H14F3NO4/c1-19-9-4-3-7(5-10(9)20-2)8(17)6-16-11(18)12(13,14)15/h3-5,8,17H,6H2,1-2H3,(H,16,18)
InChIKeyALAAYXFSQFHCHT-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 597490) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
PubChem CID597490
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C(O)CNC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C12H14F3NO4/c1-19-9-4-3-7(5-10(9)20-2)8(17)6-16-11(18)12(13,14)15/h3-5,8,17H,6H2,1-2H3,(H,16,18)
InChIKeyALAAYXFSQFHCHT-UHFFFAOYSA-N
XLogP1.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide 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

1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 72717760
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 107335113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide (CID 597490) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide is COc1ccc(C(O)CNC(=O)C(F)(F)F)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ALAAYXFSQFHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4/c1-19-9-4-3-7(5-10(9)20-2)8(17)6-16-11(18)12(13,14)15/h3-5,8,17H,6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 293.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 597490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).