2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C19H18FN3O3 — CID 113195807

IUPAC2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)c(=O)[nH]c3cc(F)ccc32)c(C)c1
InChIInChI=1S/C19H18FN3O3/c1-10-6-11(2)17(12(3)7-10)22-16(24)9-23-15-5-4-13(20)8-14(15)21-18(25)19(23)26/h4-8H,9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNKFCYJYJDTYDBT-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.39
Rot. Bonds3

About 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113195807) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113195807
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)c(=O)[nH]c3cc(F)ccc32)c(C)c1
InChIInChI=1S/C19H18FN3O3/c1-10-6-11(2)17(12(3)7-10)22-16(24)9-23-15-5-4-13(20)8-14(15)21-18(25)19(23)26/h4-8H,9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNKFCYJYJDTYDBT-UHFFFAOYSA-N
XLogP2.39
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
CID 113195779
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195721
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46922605
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195747
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195253
N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195699
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 113195428

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 113195807) is 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2c(=O)c(=O)[nH]c3cc(F)ccc32)c(C)c1.
What is the InChIKey of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NKFCYJYJDTYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-10-6-11(2)17(12(3)7-10)22-16(24)9-23-15-5-4-13(20)8-14(15)21-18(25)19(23)26/h4-8H,9H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113195807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).