2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide

C13H16F4N2O3S — CID 133284643

IUPAC2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H16F4N2O3S/c1-8(2)6-19-12(20)7-18-10-4-3-9(14)5-11(10)23(21,22)13(15,16)17/h3-5,8,18H,6-7H2,1-2H3,(H,19,20)
InChIKeyQWMREDSKBNKLTI-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide

2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide (PubChem CID 133284643) has the molecular formula C13H16F4N2O3S and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
PubChem CID133284643
Molecular FormulaC13H16F4N2O3S
Molecular Weight356.34 g/mol
Exact Mass356.08
IUPAC Name2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H16F4N2O3S/c1-8(2)6-19-12(20)7-18-10-4-3-9(14)5-11(10)23(21,22)13(15,16)17/h3-5,8,18H,6-7H2,1-2H3,(H,19,20)
InChIKeyQWMREDSKBNKLTI-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
CID 62867932
ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305
N-(2,2-dimethylbutyl)-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 103462427
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 55129525
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 78916121
4-fluoro-N-(1-methoxypropan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 62891619
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
N-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine
CID 62893183
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide (CID 133284643) is 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide?
The InChIKey is QWMREDSKBNKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O3S/c1-8(2)6-19-12(20)7-18-10-4-3-9(14)5-11(10)23(21,22)13(15,16)17/h3-5,8,18H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide?
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide has a molecular weight of 356.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 133284643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).