N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide

C19H13ClFN3O3 — CID 118343572

IUPACN-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OCO3)cn1
InChIInChI=1S/C19H13ClFN3O3/c1-10-2-3-11(21)4-12(10)19(25)24-18-8-22-15(7-23-18)13-5-16-17(6-14(13)20)27-9-26-16/h2-8H,9H2,1H3,(H,23,24,25)
InChIKeyRVPBSMUFNPMTKW-UHFFFAOYSA-N
MW385.78 g/mol
LogP4.23
Rot. Bonds3

About N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide

N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide (PubChem CID 118343572) has the molecular formula C19H13ClFN3O3 and a molecular weight of 385.78 g/mol. Its IUPAC name is N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
PubChem CID118343572
Molecular FormulaC19H13ClFN3O3
Molecular Weight385.78 g/mol
Exact Mass385.06
IUPAC NameN-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OCO3)cn1
InChIInChI=1S/C19H13ClFN3O3/c1-10-2-3-11(21)4-12(10)19(25)24-18-8-22-15(7-23-18)13-5-16-17(6-14(13)20)27-9-26-16/h2-8H,9H2,1H3,(H,23,24,25)
InChIKeyRVPBSMUFNPMTKW-UHFFFAOYSA-N
XLogP4.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 54.23
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]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
CID 159362391
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-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide
CID 159307138
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide
CID 140627890
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-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
CID 58487435
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
N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide
CID 159515633
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]cyclopentanecarboxamide
CID 58487076
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-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2-methylpropanamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylpropanamide
CID 158400268
N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methoxybenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxybenzamide;2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methoxybenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxybenzamide
CID 158845678

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide (CID 118343572) is N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OCO3)cn1.
What is the InChIKey of N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is RVPBSMUFNPMTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O3/c1-10-2-3-11(21)4-12(10)19(25)24-18-8-22-15(7-23-18)13-5-16-17(6-14(13)20)27-9-26-16/h2-8H,9H2,1H3,(H,23,24,25).
What are the key properties of N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?
N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 385.78 g/mol, XLogP of 4.23, 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-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 118343572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).