methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate

C15H11F3N2O3 — CID 71987187

IUPACmethyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1c(F)cc(F)cc1F)c1ccccn1
InChIInChI=1S/C15H11F3N2O3/c1-23-15(22)13(11-4-2-3-5-19-11)20-14(21)12-9(17)6-8(16)7-10(12)18/h2-7,13H,1H3,(H,20,21)
InChIKeyNVORDAKJDQTKOL-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate

methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate (PubChem CID 71987187) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate
PubChem CID71987187
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Namemethyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1c(F)cc(F)cc1F)c1ccccn1
InChIInChI=1S/C15H11F3N2O3/c1-23-15(22)13(11-4-2-3-5-19-11)20-14(21)12-9(17)6-8(16)7-10(12)18/h2-7,13H,1H3,(H,20,21)
InChIKeyNVORDAKJDQTKOL-UHFFFAOYSA-N
XLogP2.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate (CID 71987187) is methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate is COC(=O)C(NC(=O)c1c(F)cc(F)cc1F)c1ccccn1.
What is the InChIKey of methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate?
The InChIKey is NVORDAKJDQTKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-23-15(22)13(11-4-2-3-5-19-11)20-14(21)12-9(17)6-8(16)7-10(12)18/h2-7,13H,1H3,(H,20,21).
What are the key properties of methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate?
methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate has a molecular weight of 324.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate is sourced from PubChem (CID 71987187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).