N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide

C19H14F5N3O2 — CID 50760750

IUPACN-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3cc(F)ccc3F)c2cc1C
InChIInChI=1S/C19H14F5N3O2/c1-9-5-14-15(6-10(9)2)27(18(29)17(26-14)19(22,23)24)8-16(28)25-13-7-11(20)3-4-12(13)21/h3-7H,8H2,1-2H3,(H,25,28)
InChIKeyVYDPQECLBLRCBJ-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.95
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide (PubChem CID 50760750) has the molecular formula C19H14F5N3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
PubChem CID50760750
Molecular FormulaC19H14F5N3O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC NameN-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3cc(F)ccc3F)c2cc1C
InChIInChI=1S/C19H14F5N3O2/c1-9-5-14-15(6-10(9)2)27(18(29)17(26-14)19(22,23)24)8-16(28)25-13-7-11(20)3-4-12(13)21/h3-7H,8H2,1-2H3,(H,25,28)
InChIKeyVYDPQECLBLRCBJ-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]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

2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 50760712
N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
CID 50761211
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
N-(2,5-difluorophenyl)-2-(5,11-dimethyl-2-oxo-10-thia-1,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraen-4-yl)acetamide
CID 46860787
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,5-difluorophenyl)acetamide
CID 8721534
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
CID 50760643
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 51046736
(2S)-N-(5-chloro-2-methylphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92887481
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 51368647

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide (CID 50760750) is N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide is Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3cc(F)ccc3F)c2cc1C.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
The InChIKey is VYDPQECLBLRCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2/c1-9-5-14-15(6-10(9)2)27(18(29)17(26-14)19(22,23)24)8-16(28)25-13-7-11(20)3-4-12(13)21/h3-7H,8H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide has a molecular weight of 411.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide is sourced from PubChem (CID 50760750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).