[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C19H17F3N2O5 — CID 8790244

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCC(F)(F)F
InChIInChI=1S/C19H17F3N2O5/c20-19(21,22)12-24-16(25)11-28-17(26)10-23-18(27)13-6-8-15(9-7-13)29-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,27)(H,24,25)
InChIKeyHFSOJIXIOOUIEG-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.43
Rot. Bonds8

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 8790244) has the molecular formula C19H17F3N2O5 and a molecular weight of 410.35 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID8790244
Molecular FormulaC19H17F3N2O5
Molecular Weight410.35 g/mol
Exact Mass410.11
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCC(F)(F)F
InChIInChI=1S/C19H17F3N2O5/c20-19(21,22)12-24-16(25)11-28-17(26)10-23-18(27)13-6-8-15(9-7-13)29-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,27)(H,24,25)
InChIKeyHFSOJIXIOOUIEG-UHFFFAOYSA-N
XLogP2.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4842902
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878582
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833340
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 8790244) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is HFSOJIXIOOUIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O5/c20-19(21,22)12-24-16(25)11-28-17(26)10-23-18(27)13-6-8-15(9-7-13)29-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,27)(H,24,25).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 410.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 8790244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).