2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide

C12H13F3N2O2 — CID 90019133

IUPAC2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
SMILESCc1ccc(CNC(=O)C(F)(F)F)c(C)c1C(N)=O
InChIInChI=1S/C12H13F3N2O2/c1-6-3-4-8(7(2)9(6)10(16)18)5-17-11(19)12(13,14)15/h3-4H,5H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyRCAIGRJGQLVPLZ-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.58
Rot. Bonds3

About 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide

2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide (PubChem CID 90019133) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
PubChem CID90019133
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
SMILESCc1ccc(CNC(=O)C(F)(F)F)c(C)c1C(N)=O
InChIInChI=1S/C12H13F3N2O2/c1-6-3-4-8(7(2)9(6)10(16)18)5-17-11(19)12(13,14)15/h3-4H,5H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyRCAIGRJGQLVPLZ-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide
CID 151441602
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
N'-[(2,3,4-trimethylphenyl)methyl]oxamide
CID 115191898
N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 122629173
2,6-dichloro-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid
CID 86658673
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
2,3-diethyl-6-methylbenzamide
CID 174760493
2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108934099
N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide
CID 162549411
4-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]benzamide
CID 90549909
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The IUPAC name of 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide (CID 90019133) is 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide is Cc1ccc(CNC(=O)C(F)(F)F)c(C)c1C(N)=O.
What is the InChIKey of 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The InChIKey is RCAIGRJGQLVPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-6-3-4-8(7(2)9(6)10(16)18)5-17-11(19)12(13,14)15/h3-4H,5H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide has a molecular weight of 274.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide is sourced from PubChem (CID 90019133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).