N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide

C23H17F7N2O — CID 178014238

IUPACN-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2cc(NC(=O)Cc3c(F)cccc3C(F)(F)F)cc(C(F)(F)F)c2)cc(C)n1
InChIInChI=1S/C23H17F7N2O/c1-12-6-14(7-13(2)31-12)15-8-16(22(25,26)27)10-17(9-15)32-21(33)11-18-19(23(28,29)30)4-3-5-20(18)24/h3-10H,11H2,1-2H3,(H,32,33)
InChIKeyYNRCOQMPSFEUNE-UHFFFAOYSA-N
MW470.39 g/mol
LogP6.72
Rot. Bonds4

About N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide

N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 178014238) has the molecular formula C23H17F7N2O and a molecular weight of 470.39 g/mol. Its IUPAC name is N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID178014238
Molecular FormulaC23H17F7N2O
Molecular Weight470.39 g/mol
Exact Mass470.12
IUPAC NameN-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2cc(NC(=O)Cc3c(F)cccc3C(F)(F)F)cc(C(F)(F)F)c2)cc(C)n1
InChIInChI=1S/C23H17F7N2O/c1-12-6-14(7-13(2)31-12)15-8-16(22(25,26)27)10-17(9-15)32-21(33)11-18-19(23(28,29)30)4-3-5-20(18)24/h3-10H,11H2,1-2H3,(H,32,33)
InChIKeyYNRCOQMPSFEUNE-UHFFFAOYSA-N
XLogP6.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.39
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 178014246
2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962141
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 78802108
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide
CID 134101759
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,6-difluorophenyl)acetamide
CID 82880113
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50749946
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 107583887
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108787887

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide (CID 178014238) is N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide is Cc1cc(-c2cc(NC(=O)Cc3c(F)cccc3C(F)(F)F)cc(C(F)(F)F)c2)cc(C)n1.
What is the InChIKey of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YNRCOQMPSFEUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F7N2O/c1-12-6-14(7-13(2)31-12)15-8-16(22(25,26)27)10-17(9-15)32-21(33)11-18-19(23(28,29)30)4-3-5-20(18)24/h3-10H,11H2,1-2H3,(H,32,33).
What are the key properties of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 470.39 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 178014238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).