N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide

C12H8BrClFN3O — CID 106551752

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H8BrClFN3O/c1-6-2-8(15)7(13)3-9(6)18-12(19)10-4-16-5-11(14)17-10/h2-5H,1H3,(H,18,19)
InChIKeyKKRCGVGDOUMARV-UHFFFAOYSA-N
MW344.57 g/mol
LogP3.59
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide (PubChem CID 106551752) has the molecular formula C12H8BrClFN3O and a molecular weight of 344.57 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
PubChem CID106551752
Molecular FormulaC12H8BrClFN3O
Molecular Weight344.57 g/mol
Exact Mass342.95
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H8BrClFN3O/c1-6-2-8(15)7(13)3-9(6)18-12(19)10-4-16-5-11(14)17-10/h2-5H,1H3,(H,18,19)
InChIKeyKKRCGVGDOUMARV-UHFFFAOYSA-N
XLogP3.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 103337254
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 103274989
6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide
CID 103337581
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 107593909
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide (CID 106551752) is N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1cncc(Cl)n1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
The InChIKey is KKRCGVGDOUMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3O/c1-6-2-8(15)7(13)3-9(6)18-12(19)10-4-16-5-11(14)17-10/h2-5H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide has a molecular weight of 344.57 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 106551752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).