2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide

C11H12F4N2O — CID 60652978

IUPAC2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(F)cc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H12F4N2O/c1-7-2-3-8(12)4-9(7)16-5-10(18)17-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyMREFGYKHEQMNND-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.22
Rot. Bonds4

About 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60652978) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60652978
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(F)cc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H12F4N2O/c1-7-2-3-8(12)4-9(7)16-5-10(18)17-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyMREFGYKHEQMNND-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584022
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 47064089
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
4-methyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47064084
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60652978) is 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(F)cc1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MREFGYKHEQMNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c1-7-2-3-8(12)4-9(7)16-5-10(18)17-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60652978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).