4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide

C11H11F3N2O2 — CID 62733184

IUPAC4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-16(10(18)11(12,13)14)6-7-2-4-8(5-3-7)9(15)17/h2-5H,6H2,1H3,(H2,15,17)
InChIKeyFENRWUKGQRXWIW-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.31
Rot. Bonds3

About 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide

4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide (PubChem CID 62733184) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
PubChem CID62733184
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-16(10(18)11(12,13)14)6-7-2-4-8(5-3-7)9(15)17/h2-5H,6H2,1H3,(H2,15,17)
InChIKeyFENRWUKGQRXWIW-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62734863
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089
4-[[(2-bromo-3-methylbutanoyl)-methylamino]methyl]benzamide
CID 54875292
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The IUPAC name of 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide (CID 62733184) is 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)C(F)(F)F.
What is the InChIKey of 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The InChIKey is FENRWUKGQRXWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-16(10(18)11(12,13)14)6-7-2-4-8(5-3-7)9(15)17/h2-5H,6H2,1H3,(H2,15,17).
What are the key properties of 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide has a molecular weight of 260.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide is sourced from PubChem (CID 62733184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).