N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C14H18F3NO — CID 134795087

IUPACN,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)C
InChIInChI=1S/C14H18F3NO/c1-13(2,3)12(19)18(4)9-10-6-5-7-11(8-10)14(15,16)17/h5-8H,9H2,1-4H3
InChIKeyBMFGINAFVGBHOB-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.71
Rot. Bonds2

About N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 134795087) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID134795087
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)C
InChIInChI=1S/C14H18F3NO/c1-13(2,3)12(19)18(4)9-10-6-5-7-11(8-10)14(15,16)17/h5-8H,9H2,1-4H3
InChIKeyBMFGINAFVGBHOB-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 134795087) is N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is BMFGINAFVGBHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(2,3)12(19)18(4)9-10-6-5-7-11(8-10)14(15,16)17/h5-8H,9H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 273.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 134795087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).