N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide

C11H6ClFN4O3 — CID 107595834

IUPACN-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6ClFN4O3/c12-9-4-15-10(5-14-9)16-11(18)7-3-6(13)1-2-8(7)17(19)20/h1-5H,(H,15,16,18)
InChIKeyFSDOMSIRMYNVKA-UHFFFAOYSA-N
MW296.65 g/mol
LogP2.43
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide

N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide (PubChem CID 107595834) has the molecular formula C11H6ClFN4O3 and a molecular weight of 296.65 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
PubChem CID107595834
Molecular FormulaC11H6ClFN4O3
Molecular Weight296.65 g/mol
Exact Mass296.01
IUPAC NameN-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6ClFN4O3/c12-9-4-15-10(5-14-9)16-11(18)7-3-6(13)1-2-8(7)17(19)20/h1-5H,(H,15,16,18)
InChIKeyFSDOMSIRMYNVKA-UHFFFAOYSA-N
XLogP2.43
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.65
LogP ≤ 52.43
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'}

Analyze N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
CID 107595832
N-(5-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107595745
4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 63235900
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide (CID 107595834) is N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide is O=C(Nc1cnc(Cl)cn1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide?
The InChIKey is FSDOMSIRMYNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O3/c12-9-4-15-10(5-14-9)16-11(18)7-3-6(13)1-2-8(7)17(19)20/h1-5H,(H,15,16,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide?
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide has a molecular weight of 296.65 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide is sourced from PubChem (CID 107595834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).