N-(3-cyano-5-fluoropyrazin-2-yl)benzamide

C12H7FN4O — CID 22662846

IUPACN-(3-cyano-5-fluoropyrazin-2-yl)benzamide
SMILESN#Cc1nc(F)cnc1NC(=O)c1ccccc1
InChIInChI=1S/C12H7FN4O/c13-10-7-15-11(9(6-14)16-10)17-12(18)8-4-2-1-3-5-8/h1-5,7H,(H,15,17,18)
InChIKeyPYXZSOUIROPFIF-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.74
Rot. Bonds2

About N-(3-cyano-5-fluoropyrazin-2-yl)benzamide

N-(3-cyano-5-fluoropyrazin-2-yl)benzamide (PubChem CID 22662846) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is N-(3-cyano-5-fluoropyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-fluoropyrazin-2-yl)benzamide
PubChem CID22662846
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC NameN-(3-cyano-5-fluoropyrazin-2-yl)benzamide
SMILESN#Cc1nc(F)cnc1NC(=O)c1ccccc1
InChIInChI=1S/C12H7FN4O/c13-10-7-15-11(9(6-14)16-10)17-12(18)8-4-2-1-3-5-8/h1-5,7H,(H,15,17,18)
InChIKeyPYXZSOUIROPFIF-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-fluoropyrazin-2-yl)benzamide?
The IUPAC name of N-(3-cyano-5-fluoropyrazin-2-yl)benzamide (CID 22662846) is N-(3-cyano-5-fluoropyrazin-2-yl)benzamide.
What is the SMILES notation for N-(3-cyano-5-fluoropyrazin-2-yl)benzamide?
The canonical SMILES for N-(3-cyano-5-fluoropyrazin-2-yl)benzamide is N#Cc1nc(F)cnc1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-cyano-5-fluoropyrazin-2-yl)benzamide?
The InChIKey is PYXZSOUIROPFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-10-7-15-11(9(6-14)16-10)17-12(18)8-4-2-1-3-5-8/h1-5,7H,(H,15,17,18).
What are the key properties of N-(3-cyano-5-fluoropyrazin-2-yl)benzamide?
N-(3-cyano-5-fluoropyrazin-2-yl)benzamide has a molecular weight of 242.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-fluoropyrazin-2-yl)benzamide is sourced from PubChem (CID 22662846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).