N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide

C11H12F3NO — CID 20717935

IUPACN-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7-3-9(6-15-8(2)16)5-10(4-7)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyZEZBMUVNVSDINZ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.65
Rot. Bonds2

About N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide

N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 20717935) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID20717935
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7-3-9(6-15-8(2)16)5-10(4-7)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyZEZBMUVNVSDINZ-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
(2S)-2-(methylamino)-3-[3-methyl-5-(trifluoromethyl)phenyl]propanoic acid
CID 170109977
1-methyl-3-(trifluoromethyl)-5-(trifluoromethylsulfonylmethyl)benzene
CID 158352048
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 166182708
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide
CID 90256548
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide (CID 20717935) is N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ZEZBMUVNVSDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-3-9(6-15-8(2)16)5-10(4-7)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 20717935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).