N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide

C13H17F3N2O — CID 60707749

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-17(2)8-9-18(12(19)13(14,15)16)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyVXWZXMZTPZIHGD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.14
Rot. Bonds5

About N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide

N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 60707749) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
PubChem CID60707749
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-17(2)8-9-18(12(19)13(14,15)16)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyVXWZXMZTPZIHGD-UHFFFAOYSA-N
XLogP2.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 102119023
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
3-[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065197

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide (CID 60707749) is N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide is CN(C)CCN(Cc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VXWZXMZTPZIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-17(2)8-9-18(12(19)13(14,15)16)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 274.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 60707749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).