2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide

C17H14F5N3O3 — CID 55483220

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
SMILESCNC(=O)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5N3O3/c1-23-16(28)15(9-2-4-11(18)12(19)6-9)24-13(26)8-25-7-10(17(20,21)22)3-5-14(25)27/h2-7,15H,8H2,1H3,(H,23,28)(H,24,26)
InChIKeyPIAMHCGIZYDKQM-UHFFFAOYSA-N
MW403.31 g/mol
LogP1.75
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide

2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide (PubChem CID 55483220) has the molecular formula C17H14F5N3O3 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
PubChem CID55483220
Molecular FormulaC17H14F5N3O3
Molecular Weight403.31 g/mol
Exact Mass403.10
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
SMILESCNC(=O)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5N3O3/c1-23-16(28)15(9-2-4-11(18)12(19)6-9)24-13(26)8-25-7-10(17(20,21)22)3-5-14(25)27/h2-7,15H,8H2,1H3,(H,23,28)(H,24,26)
InChIKeyPIAMHCGIZYDKQM-UHFFFAOYSA-N
XLogP1.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide (CID 55483220) is 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide is CNC(=O)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide?
The InChIKey is PIAMHCGIZYDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O3/c1-23-16(28)15(9-2-4-11(18)12(19)6-9)24-13(26)8-25-7-10(17(20,21)22)3-5-14(25)27/h2-7,15H,8H2,1H3,(H,23,28)(H,24,26).
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide has a molecular weight of 403.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide is sourced from PubChem (CID 55483220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).