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

C17H14FN3O3 — CID 113195549

IUPAC2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2ccccc21)NCc1ccccc1F
InChIInChI=1S/C17H14FN3O3/c18-12-6-2-1-5-11(12)9-19-15(22)10-21-14-8-4-3-7-13(14)20-16(23)17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23)
InChIKeyXMVAIVVTMPYGMW-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.15
Rot. Bonds4

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

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113195549) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113195549
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2ccccc21)NCc1ccccc1F
InChIInChI=1S/C17H14FN3O3/c18-12-6-2-1-5-11(12)9-19-15(22)10-21-14-8-4-3-7-13(14)20-16(23)17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23)
InChIKeyXMVAIVVTMPYGMW-UHFFFAOYSA-N
XLogP1.15
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.15
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-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
N-[(2-fluorophenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195175
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 113195542
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 22522714
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 71705470
N-[(2-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841351
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 113195549) is 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1c(=O)c(=O)[nH]c2ccccc21)NCc1ccccc1F.
What is the InChIKey of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is XMVAIVVTMPYGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-12-6-2-1-5-11(12)9-19-15(22)10-21-14-8-4-3-7-13(14)20-16(23)17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23).
What are the key properties of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113195549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).