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

C12H15F3N2O — CID 78914952

IUPACN-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccccc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-17(8-10-5-3-2-4-6-10)11(18)7-16-9-12(13,14)15/h2-6,16H,7-9H2,1H3
InChIKeyIPWZYDSYXAEALW-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.80
Rot. Bonds5

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

N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914952) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914952
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccccc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-17(8-10-5-3-2-4-6-10)11(18)7-16-9-12(13,14)15/h2-6,16H,7-9H2,1H3
InChIKeyIPWZYDSYXAEALW-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960749
N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958541
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924228
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate
CID 60671815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914952) is N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1ccccc1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IPWZYDSYXAEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17(8-10-5-3-2-4-6-10)11(18)7-16-9-12(13,14)15/h2-6,16H,7-9H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 260.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).