N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

C16H12BrN3O2 — CID 1094795

IUPACN-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H12BrN3O2/c1-9(21)18-12-7-6-10(17)8-11(12)15-16(22)20-14-5-3-2-4-13(14)19-15/h2-8H,1H3,(H,18,21)(H,20,22)
InChIKeyNXDPCEXUQCPIGD-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.31
Rot. Bonds2

About N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide (PubChem CID 1094795) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
PubChem CID1094795
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H12BrN3O2/c1-9(21)18-12-7-6-10(17)8-11(12)15-16(22)20-14-5-3-2-4-13(14)19-15/h2-8H,1H3,(H,18,21)(H,20,22)
InChIKeyNXDPCEXUQCPIGD-UHFFFAOYSA-N
XLogP3.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide (CID 1094795) is N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
The InChIKey is NXDPCEXUQCPIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-9(21)18-12-7-6-10(17)8-11(12)15-16(22)20-14-5-3-2-4-13(14)19-15/h2-8H,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide?
N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide has a molecular weight of 358.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide is sourced from PubChem (CID 1094795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).