2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

C17H12F3N3O2 — CID 8007173

IUPAC2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccccc3NC(=O)C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C17H12F3N3O2/c1-9-6-7-12-13(8-9)22-15(24)14(21-12)10-4-2-3-5-11(10)23-16(25)17(18,19)20/h2-8H,1H3,(H,22,24)(H,23,25)
InChIKeyUGIUXXJBAKWIJD-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.40
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide (PubChem CID 8007173) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
PubChem CID8007173
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccccc3NC(=O)C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C17H12F3N3O2/c1-9-6-7-12-13(8-9)22-15(24)14(21-12)10-4-2-3-5-11(10)23-16(25)17(18,19)20/h2-8H,1H3,(H,22,24)(H,23,25)
InChIKeyUGIUXXJBAKWIJD-UHFFFAOYSA-N
XLogP3.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 7187725
2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
CID 122176077
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
CID 100654599
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
CID 53299187
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 825300
ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
CID 832829
N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide
CID 75361249

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide (CID 8007173) is 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccccc3NC(=O)C(F)(F)F)c(=O)[nH]c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
The InChIKey is UGIUXXJBAKWIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-9-6-7-12-13(8-9)22-15(24)14(21-12)10-4-2-3-5-11(10)23-16(25)17(18,19)20/h2-8H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide is sourced from PubChem (CID 8007173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).