2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide

C19H12ClF2N3O3 — CID 58487435

IUPAC2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)OC(F)(F)O2
InChIInChI=1S/C19H12ClF2N3O3/c1-10-6-15-16(28-19(21,22)27-15)7-12(10)14-8-24-17(9-23-14)25-18(26)11-4-2-3-5-13(11)20/h2-9H,1H3,(H,24,25,26)
InChIKeyAGWBTQLIACYJFF-UHFFFAOYSA-N
MW403.77 g/mol
LogP4.68
Rot. Bonds3

About 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide

2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide (PubChem CID 58487435) has the molecular formula C19H12ClF2N3O3 and a molecular weight of 403.77 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
PubChem CID58487435
Molecular FormulaC19H12ClF2N3O3
Molecular Weight403.77 g/mol
Exact Mass403.05
IUPAC Name2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)OC(F)(F)O2
InChIInChI=1S/C19H12ClF2N3O3/c1-10-6-15-16(28-19(21,22)27-15)7-12(10)14-8-24-17(9-23-14)25-18(26)11-4-2-3-5-13(11)20/h2-9H,1H3,(H,24,25,26)
InChIKeyAGWBTQLIACYJFF-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide
CID 140627890
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 90396544
3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide
CID 90394489
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
CID 90394560
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90396517
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane
CID 158708379
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-fluoro-2-methylpenta-2,4-dienamide
CID 123667540
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 90396552
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide
CID 58486674
N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
CID 118343572
2-chloro-N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]benzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[5-(5-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]benzamide
CID 160640447
2-chloro-N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]benzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-methylbenzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]benzamide
CID 159636979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide (CID 58487435) is 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)OC(F)(F)O2.
What is the InChIKey of 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?
The InChIKey is AGWBTQLIACYJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O3/c1-10-6-15-16(28-19(21,22)27-15)7-12(10)14-8-24-17(9-23-14)25-18(26)11-4-2-3-5-13(11)20/h2-9H,1H3,(H,24,25,26).
What are the key properties of 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?
2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide has a molecular weight of 403.77 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58487435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).