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

C17H13ClFN3O3 — CID 113195817

IUPACN-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C17H13ClFN3O3/c1-9-11(18)3-2-4-12(9)20-15(23)8-22-14-6-5-10(19)7-13(14)21-16(24)17(22)25/h2-7H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyZXEXNTDZLHLEQV-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.43
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide (PubChem CID 113195817) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
PubChem CID113195817
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C17H13ClFN3O3/c1-9-11(18)3-2-4-12(9)20-15(23)8-22-14-6-5-10(19)7-13(14)21-16(24)17(22)25/h2-7H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyZXEXNTDZLHLEQV-UHFFFAOYSA-N
XLogP2.43
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.43
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-(2,4,6-trimethylphenyl)acetamide
CID 113195807
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
CID 113195779
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
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
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 113195428
N-(3-chloro-2-methylphenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601447
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113195705

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide (CID 113195817) is N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The InChIKey is ZXEXNTDZLHLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-9-11(18)3-2-4-12(9)20-15(23)8-22-14-6-5-10(19)7-13(14)21-16(24)17(22)25/h2-7H,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide has a molecular weight of 361.76 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide is sourced from PubChem (CID 113195817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).