N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C21H19F3N4O3 — CID 24687167

IUPACN-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H19F3N4O3/c1-2-27(12-18(29)26-15-8-4-3-7-14(15)21(22,23)24)20(31)13-28-17-10-6-5-9-16(17)25-11-19(28)30/h3-11H,2,12-13H2,1H3,(H,26,29)
InChIKeyJZSJRUVDGQNKAG-UHFFFAOYSA-N
MW432.40 g/mol
LogP2.90
Rot. Bonds6

About N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 24687167) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID24687167
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H19F3N4O3/c1-2-27(12-18(29)26-15-8-4-3-7-14(15)21(22,23)24)20(31)13-28-17-10-6-5-9-16(17)25-11-19(28)30/h3-11H,2,12-13H2,1H3,(H,26,29)
InChIKeyJZSJRUVDGQNKAG-UHFFFAOYSA-N
XLogP2.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 24687167) is N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is JZSJRUVDGQNKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-2-27(12-18(29)26-15-8-4-3-7-14(15)21(22,23)24)20(31)13-28-17-10-6-5-9-16(17)25-11-19(28)30/h3-11H,2,12-13H2,1H3,(H,26,29).
What are the key properties of N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 432.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 24687167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).