N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide

C19H16F3N3O2 — CID 46284677

IUPACN-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H16F3N3O2/c1-11-6-5-7-12(2)16(11)24-15(26)10-25-14-9-4-3-8-13(14)23-17(18(25)27)19(20,21)22/h3-9H,10H2,1-2H3,(H,24,26)
InChIKeyIJDUSBMXESTTLH-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.67
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide (PubChem CID 46284677) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
PubChem CID46284677
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H16F3N3O2/c1-11-6-5-7-12(2)16(11)24-15(26)10-25-14-9-4-3-8-13(14)23-17(18(25)27)19(20,21)22/h3-9H,10H2,1-2H3,(H,24,26)
InChIKeyIJDUSBMXESTTLH-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097774
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 50761173
N-(2,6-dimethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061517
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030392
N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
CID 1327709
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 50760750
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide (CID 46284677) is N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)Cn1c(=O)c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
The InChIKey is IJDUSBMXESTTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11-6-5-7-12(2)16(11)24-15(26)10-25-14-9-4-3-8-13(14)23-17(18(25)27)19(20,21)22/h3-9H,10H2,1-2H3,(H,24,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide is sourced from PubChem (CID 46284677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).