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-(2-phenylethyl)acetamide
CID 70143
N-Benzylacetamide
CID 11500
N-Benzylacrylamide
CID 139428
N-benzyl-2-bromoacetamide
CID 145664
N-benzyl-2-cyanoacetamide
CID 668298
Benzenemethanamine, N-methyl-3-(trifluoromethyl)-
CID 485414
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
CID 101733925
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
CID 162516979
N-propyl-3-(trifluoromethyl)benzenecarboxamide
CID 2767296
Propanamide, 2-methyl-N-(phenylmethyl)-
CID 94895
N-Benzyl-butyramide
CID 221807
N-(1-phenylethyl)acetamide
CID 222023

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).