2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide

C17H12F3N3O2 — CID 78458748

IUPAC2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)c(C2N=c3ccccc3=NC2=O)c1
InChIInChI=1S/C17H12F3N3O2/c1-9-6-7-11(23-16(25)17(18,19)20)10(8-9)14-15(24)22-13-5-3-2-4-12(13)21-14/h2-8,14H,1H3,(H,23,25)
InChIKeyIEAUSBQALYSSGM-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.02
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide (PubChem CID 78458748) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide
PubChem CID78458748
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)c(C2N=c3ccccc3=NC2=O)c1
InChIInChI=1S/C17H12F3N3O2/c1-9-6-7-11(23-16(25)17(18,19)20)10(8-9)14-15(24)22-13-5-3-2-4-12(13)21-14/h2-8,14H,1H3,(H,23,25)
InChIKeyIEAUSBQALYSSGM-UHFFFAOYSA-N
XLogP2.02
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-diphenylphosphoryl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 102411791
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 8007173
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
CID 114038112
2,2,2-trifluoro-N-[2-[3-hydroxy-3-(3-methylphenyl)prop-1-ynyl]phenyl]acetamide
CID 135053147
N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
CID 174970141
2,2,2-trifluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 108933509
2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 59423764
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide (CID 78458748) is 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide is Cc1ccc(NC(=O)C(F)(F)F)c(C2N=c3ccccc3=NC2=O)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide?
The InChIKey is IEAUSBQALYSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-9-6-7-11(23-16(25)17(18,19)20)10(8-9)14-15(24)22-13-5-3-2-4-12(13)21-14/h2-8,14H,1H3,(H,23,25).
What are the key properties of 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-2H-quinoxalin-2-yl)phenyl]acetamide is sourced from PubChem (CID 78458748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).