N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C11H12F3NO — CID 22660933

IUPACN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-8(16)15(2)7-9-4-3-5-10(6-9)11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyISRUPAMWGCUHNK-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.68
Rot. Bonds2

About N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 22660933) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID22660933
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-8(16)15(2)7-9-4-3-5-10(6-9)11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyISRUPAMWGCUHNK-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 22660933) is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ISRUPAMWGCUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8(16)15(2)7-9-4-3-5-10(6-9)11(12,13)14/h3-6H,7H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 22660933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).