N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide

C16H11BrFN3O2 — CID 2124321

IUPACN-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide
SMILESO=C(COc1cnc2ccccc2n1)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H11BrFN3O2/c17-10-5-6-12(11(18)7-10)20-15(22)9-23-16-8-19-13-3-1-2-4-14(13)21-16/h1-8H,9H2,(H,20,22)
InChIKeyYIUUHJQXMPZRLD-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.55
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide

N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide (PubChem CID 2124321) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide
PubChem CID2124321
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide
SMILESO=C(COc1cnc2ccccc2n1)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H11BrFN3O2/c17-10-5-6-12(11(18)7-10)20-15(22)9-23-16-8-19-13-3-1-2-4-14(13)21-16/h1-8H,9H2,(H,20,22)
InChIKeyYIUUHJQXMPZRLD-UHFFFAOYSA-N
XLogP3.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2096177
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089
N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 53267565
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3873039
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide (CID 2124321) is N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide is O=C(COc1cnc2ccccc2n1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide?
The InChIKey is YIUUHJQXMPZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-10-5-6-12(11(18)7-10)20-15(22)9-23-16-8-19-13-3-1-2-4-14(13)21-16/h1-8H,9H2,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide?
N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide has a molecular weight of 376.19 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide is sourced from PubChem (CID 2124321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).