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

C19H12ClF2N3O3 — CID 58487175

IUPACN-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OCCO3)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H12ClF2N3O3/c20-11-7-16-15(27-4-5-28-16)6-10(11)14-8-24-17(9-23-14)25-19(26)18-12(21)2-1-3-13(18)22/h1-3,6-9H,4-5H2,(H,24,25,26)
InChIKeyDJYHWWUAOKWWNW-UHFFFAOYSA-N
MW403.77 g/mol
LogP4.10
Rot. Bonds3

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

N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 58487175) has the molecular formula C19H12ClF2N3O3 and a molecular weight of 403.77 g/mol. Its IUPAC name is N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID58487175
Molecular FormulaC19H12ClF2N3O3
Molecular Weight403.77 g/mol
Exact Mass403.05
IUPAC NameN-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OCCO3)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H12ClF2N3O3/c20-11-7-16-15(27-4-5-28-16)6-10(11)14-8-24-17(9-23-14)25-19(26)18-12(21)2-1-3-13(18)22/h1-3,6-9H,4-5H2,(H,24,25,26)
InChIKeyDJYHWWUAOKWWNW-UHFFFAOYSA-N
XLogP4.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide (CID 58487175) is N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide is O=C(Nc1cnc(-c2cc3c(cc2Cl)OCCO3)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is DJYHWWUAOKWWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O3/c20-11-7-16-15(27-4-5-28-16)6-10(11)14-8-24-17(9-23-14)25-19(26)18-12(21)2-1-3-13(18)22/h1-3,6-9H,4-5H2,(H,24,25,26).
What are the key properties of N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 403.77 g/mol, XLogP of 4.10, 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-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 58487175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).