N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O2 — CID 78931832

IUPACN-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccccc1N(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-17(9-5-3-4-6-10(9)19-2)11(18)7-16-8-12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChIKeyVPTMAJLZPSPPMR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.81
Rot. Bonds5

About N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78931832) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78931832
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccccc1N(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-17(9-5-3-4-6-10(9)19-2)11(18)7-16-8-12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChIKeyVPTMAJLZPSPPMR-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548694
N-(2-methoxyphenyl)-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611367
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
CID 64609788
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260660
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957945

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78931832) is N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is COc1ccccc1N(C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VPTMAJLZPSPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-17(9-5-3-4-6-10(9)19-2)11(18)7-16-8-12(13,14)15/h3-6,16H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78931832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).