2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide

C15H12F3NO — CID 19733750

IUPAC2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
SMILESCc1ccc(N(C(=O)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C15H12F3NO/c1-11-7-9-13(10-8-11)19(14(20)15(16,17)18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNYEXDVKKUUPXJJ-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.22
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide

2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide (PubChem CID 19733750) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
PubChem CID19733750
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
SMILESCc1ccc(N(C(=O)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C15H12F3NO/c1-11-7-9-13(10-8-11)19(14(20)15(16,17)18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNYEXDVKKUUPXJJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
CID 15856392
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
CID 71672026
N-(4-aminophenyl)-N-[4-(4-amino-N-(2,2,2-trifluoroacetyl)anilino)phenyl]-2,2,2-trifluoroacetamide
CID 102518969
methanol;toluene;2,2,2-trifluoroacetic acid
CID 175547904
2,2,2-trifluoro-N-oxido-N-phenylacetamide
CID 88752204
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
N-[2-(3,3-diethoxyprop-1-ynyl)phenyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 153054872
1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone
CID 158455123
palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)
CID 88752203
bis(4-methylphenyl)-phenylsulfanium;2,2,2-trifluoroacetate
CID 172792663
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide (CID 19733750) is 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide is Cc1ccc(N(C(=O)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide?
The InChIKey is NYEXDVKKUUPXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-11-7-9-13(10-8-11)19(14(20)15(16,17)18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide?
2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide has a molecular weight of 279.26 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide is sourced from PubChem (CID 19733750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).