N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide

C12H9ClFN3O — CID 104819957

IUPACN-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cncc(Cl)n2)c1
InChIInChI=1S/C12H9ClFN3O/c1-7-2-3-9(14)8(4-7)12(18)17-11-6-15-5-10(13)16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyXFHZBPQZRSEMPV-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.83
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide

N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide (PubChem CID 104819957) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
PubChem CID104819957
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cncc(Cl)n2)c1
InChIInChI=1S/C12H9ClFN3O/c1-7-2-3-9(14)8(4-7)12(18)17-11-6-15-5-10(13)16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyXFHZBPQZRSEMPV-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide
CID 114073080
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
2-chloro-N-(6-chloropyrazin-2-yl)furan-3-carboxamide
CID 106690814
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide (CID 104819957) is N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cncc(Cl)n2)c1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide?
The InChIKey is XFHZBPQZRSEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-7-2-3-9(14)8(4-7)12(18)17-11-6-15-5-10(13)16-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide?
N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide has a molecular weight of 265.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 104819957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).