N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide

C11H13F3N2O — CID 43214376

IUPACN-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESCNC(=O)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-15-10(17)7-16-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17)
InChIKeyWNZPYFKWHZFLEK-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.54
Rot. Bonds4

About N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide

N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide (PubChem CID 43214376) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
PubChem CID43214376
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESCNC(=O)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-15-10(17)7-16-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17)
InChIKeyWNZPYFKWHZFLEK-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide (CID 43214376) is N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide is CNC(=O)CNCc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
The InChIKey is WNZPYFKWHZFLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-15-10(17)7-16-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17).
What are the key properties of N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 43214376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).