[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate

C13H12F4N2O4 — CID 2438194

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)NCC(F)(F)F
InChIInChI=1S/C13H12F4N2O4/c14-9-4-2-1-3-8(9)12(22)18-5-11(21)23-6-10(20)19-7-13(15,16)17/h1-4H,5-7H2,(H,18,22)(H,19,20)
InChIKeyPFEZGBQPINZRBH-UHFFFAOYSA-N
MW336.24 g/mol
LogP0.78
Rot. Bonds6

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2438194) has the molecular formula C13H12F4N2O4 and a molecular weight of 336.24 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2438194
Molecular FormulaC13H12F4N2O4
Molecular Weight336.24 g/mol
Exact Mass336.07
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)NCC(F)(F)F
InChIInChI=1S/C13H12F4N2O4/c14-9-4-2-1-3-8(9)12(22)18-5-11(21)23-6-10(20)19-7-13(15,16)17/h1-4H,5-7H2,(H,18,22)(H,19,20)
InChIKeyPFEZGBQPINZRBH-UHFFFAOYSA-N
XLogP0.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 2438194) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1F)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is PFEZGBQPINZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O4/c14-9-4-2-1-3-8(9)12(22)18-5-11(21)23-6-10(20)19-7-13(15,16)17/h1-4H,5-7H2,(H,18,22)(H,19,20).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 336.24 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2438194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).