2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane

C17H16F6N2O2 — CID 143659050

IUPAC2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane
SMILESCC(F)(F)F.O=C(NCc1cncc(C(F)(F)F)c1)C(O)c1ccccc1
InChIInChI=1S/C15H13F3N2O2.C2H3F3/c16-15(17,18)12-6-10(7-19-9-12)8-20-14(22)13(21)11-4-2-1-3-5-11;1-2(3,4)5/h1-7,9,13,21H,8H2,(H,20,22);1H3
InChIKeyJNUVOAXCYKMBGS-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.02
Rot. Bonds4

About 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane

2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane (PubChem CID 143659050) has the molecular formula C17H16F6N2O2 and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane
PubChem CID143659050
Molecular FormulaC17H16F6N2O2
Molecular Weight394.32 g/mol
Exact Mass394.11
IUPAC Name2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane
SMILESCC(F)(F)F.O=C(NCc1cncc(C(F)(F)F)c1)C(O)c1ccccc1
InChIInChI=1S/C15H13F3N2O2.C2H3F3/c16-15(17,18)12-6-10(7-19-9-12)8-20-14(22)13(21)11-4-2-1-3-5-11;1-2(3,4)5/h1-7,9,13,21H,8H2,(H,20,22);1H3
InChIKeyJNUVOAXCYKMBGS-UHFFFAOYSA-N
XLogP4.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane?
The IUPAC name of 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane (CID 143659050) is 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane?
The canonical SMILES for 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane is CC(F)(F)F.O=C(NCc1cncc(C(F)(F)F)c1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane?
The InChIKey is JNUVOAXCYKMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2.C2H3F3/c16-15(17,18)12-6-10(7-19-9-12)8-20-14(22)13(21)11-4-2-1-3-5-11;1-2(3,4)5/h1-7,9,13,21H,8H2,(H,20,22);1H3.
What are the key properties of 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane?
2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane has a molecular weight of 394.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane is sourced from PubChem (CID 143659050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).