N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide

C19H8ClF6N3O3 — CID 118343575

IUPACN-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C(F)(F)O3)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H8ClF6N3O3/c20-9-5-14-13(31-18(23,24)19(25,26)32-14)4-8(9)12-6-28-15(7-27-12)29-17(30)16-10(21)2-1-3-11(16)22/h1-7H,(H,28,29,30)
InChIKeyNGRPJNQXPYUSLC-UHFFFAOYSA-N
MW475.73 g/mol
LogP5.28
Rot. Bonds3

About N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 118343575) has the molecular formula C19H8ClF6N3O3 and a molecular weight of 475.73 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID118343575
Molecular FormulaC19H8ClF6N3O3
Molecular Weight475.73 g/mol
Exact Mass475.02
IUPAC NameN-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C(F)(F)O3)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H8ClF6N3O3/c20-9-5-14-13(31-18(23,24)19(25,26)32-14)4-8(9)12-6-28-15(7-27-12)29-17(30)16-10(21)2-1-3-11(16)22/h1-7H,(H,28,29,30)
InChIKeyNGRPJNQXPYUSLC-UHFFFAOYSA-N
XLogP5.28
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.73
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide (CID 118343575) is N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide is O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C(F)(F)O3)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is NGRPJNQXPYUSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8ClF6N3O3/c20-9-5-14-13(31-18(23,24)19(25,26)32-14)4-8(9)12-6-28-15(7-27-12)29-17(30)16-10(21)2-1-3-11(16)22/h1-7H,(H,28,29,30).
What are the key properties of N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 475.73 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 118343575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).