N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide

C12H8Br2N4O3 — CID 103756213

IUPACN-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Br)nc1Br
InChIInChI=1S/C12H8Br2N4O3/c13-9-6-15-12(11(14)16-9)17-10(19)5-7-3-1-2-4-8(7)18(20)21/h1-4,6H,5H2,(H,15,17,19)
InChIKeyVKEZZZYLDHWFRF-UHFFFAOYSA-N
MW416.03 g/mol
LogP3.09
Rot. Bonds4

About N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide

N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide (PubChem CID 103756213) has the molecular formula C12H8Br2N4O3 and a molecular weight of 416.03 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide
PubChem CID103756213
Molecular FormulaC12H8Br2N4O3
Molecular Weight416.03 g/mol
Exact Mass413.90
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Br)nc1Br
InChIInChI=1S/C12H8Br2N4O3/c13-9-6-15-12(11(14)16-9)17-10(19)5-7-3-1-2-4-8(7)18(20)21/h1-4,6H,5H2,(H,15,17,19)
InChIKeyVKEZZZYLDHWFRF-UHFFFAOYSA-N
XLogP3.09
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.03
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
CID 110496018
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
N-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)acetamide
CID 62909951
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
CID 37035145
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-(2-nitrophenyl)acetamide
CID 104817564
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide (CID 103756213) is N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Br)nc1Br.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide?
The InChIKey is VKEZZZYLDHWFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4O3/c13-9-6-15-12(11(14)16-9)17-10(19)5-7-3-1-2-4-8(7)18(20)21/h1-4,6H,5H2,(H,15,17,19).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide?
N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide has a molecular weight of 416.03 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 103756213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).