2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

C17H13F2N3O3 — CID 113195740

IUPAC2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2cc(F)ccc21)NCc1ccccc1F
InChIInChI=1S/C17H13F2N3O3/c18-11-5-6-14-13(7-11)21-16(24)17(25)22(14)9-15(23)20-8-10-3-1-2-4-12(10)19/h1-7H,8-9H2,(H,20,23)(H,21,24)
InChIKeyMCIZLUQMKUKONB-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.28
Rot. Bonds4

About 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113195740) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113195740
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2cc(F)ccc21)NCc1ccccc1F
InChIInChI=1S/C17H13F2N3O3/c18-11-5-6-14-13(7-11)21-16(24)17(25)22(14)9-15(23)20-8-10-3-1-2-4-12(10)19/h1-7H,8-9H2,(H,20,23)(H,21,24)
InChIKeyMCIZLUQMKUKONB-UHFFFAOYSA-N
XLogP1.28
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.28
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

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195549
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 22522714
N-[(2-fluorophenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195175
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-(2,4,6-trimethylphenyl)acetamide
CID 113195807
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195721
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 113092143
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195747

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 113195740) is 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1c(=O)c(=O)[nH]c2cc(F)ccc21)NCc1ccccc1F.
What is the InChIKey of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is MCIZLUQMKUKONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c18-11-5-6-14-13(7-11)21-16(24)17(25)22(14)9-15(23)20-8-10-3-1-2-4-12(10)19/h1-7H,8-9H2,(H,20,23)(H,21,24).
What are the key properties of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 345.31 g/mol, XLogP of 1.28, 4 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-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113195740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).