N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide

C11H3ClF5N3O — CID 107595794

IUPACN-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H3ClF5N3O/c12-3-1-19-4(2-18-3)20-11(21)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H,(H,19,20,21)
InChIKeyCTJGDYFAHZWGGN-UHFFFAOYSA-N
MW323.61 g/mol
LogP3.08
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide

N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 107595794) has the molecular formula C11H3ClF5N3O and a molecular weight of 323.61 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID107595794
Molecular FormulaC11H3ClF5N3O
Molecular Weight323.61 g/mol
Exact Mass322.99
IUPAC NameN-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H3ClF5N3O/c12-3-1-19-4(2-18-3)20-11(21)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H,(H,19,20,21)
InChIKeyCTJGDYFAHZWGGN-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-chloropyrazin-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 107595749
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
CID 107595750
N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
CID 104964229
N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
N-(5-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107595745
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
N-(5-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 104964135
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide (CID 107595794) is N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1cnc(Cl)cn1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is CTJGDYFAHZWGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3ClF5N3O/c12-3-1-19-4(2-18-3)20-11(21)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H,(H,19,20,21).
What are the key properties of N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide?
N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 323.61 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 107595794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).