N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C18H16BrN3O2 — CID 16548369

IUPACN-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12(13-6-2-3-7-14(13)19)21-17(23)11-22-16-9-5-4-8-15(16)20-10-18(22)24/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyXBOIWNXQUGHUTQ-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 16548369) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID16548369
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12(13-6-2-3-7-14(13)19)21-17(23)11-22-16-9-5-4-8-15(16)20-10-18(22)24/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyXBOIWNXQUGHUTQ-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55890335
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111119852
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41256051
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 16548369) is N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CC(NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is XBOIWNXQUGHUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12(13-6-2-3-7-14(13)19)21-17(23)11-22-16-9-5-4-8-15(16)20-10-18(22)24/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 16548369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).