2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide

C18H14F6N2O2 — CID 162535694

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
SMILESCN(C(=O)C(F)(F)F)c1ccccc1-c1ccccc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C18H14F6N2O2/c1-25(15(27)17(19,20)21)13-9-5-3-7-11(13)12-8-4-6-10-14(12)26(2)16(28)18(22,23)24/h3-10H,1-2H3
InChIKeyDSQXOSOYAIPOLH-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.40
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide (PubChem CID 162535694) has the molecular formula C18H14F6N2O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
PubChem CID162535694
Molecular FormulaC18H14F6N2O2
Molecular Weight404.31 g/mol
Exact Mass404.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
SMILESCN(C(=O)C(F)(F)F)c1ccccc1-c1ccccc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C18H14F6N2O2/c1-25(15(27)17(19,20)21)13-9-5-3-7-11(13)12-8-4-6-10-14(12)26(2)16(28)18(22,23)24/h3-10H,1-2H3
InChIKeyDSQXOSOYAIPOLH-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877
S-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl] 2,2,2-trifluoroethanethioate
CID 88930774
2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
CID 115190221
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 10823626
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 114037917
N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057684
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-methyl-N-(2-nitrophenyl)octanamide
CID 22152077
2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide
CID 91688893
3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
CID 65267367

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide (CID 162535694) is 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide is CN(C(=O)C(F)(F)F)c1ccccc1-c1ccccc1N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide?
The InChIKey is DSQXOSOYAIPOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O2/c1-25(15(27)17(19,20)21)13-9-5-3-7-11(13)12-8-4-6-10-14(12)26(2)16(28)18(22,23)24/h3-10H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide has a molecular weight of 404.31 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide is sourced from PubChem (CID 162535694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).