5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide

C17H10Cl2F2N4O — CID 109294618

IUPAC5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-2-1-3-11(19)16(10)25-15-8-22-14(7-23-15)17(26)24-9-4-5-12(20)13(21)6-9/h1-8H,(H,23,25)(H,24,26)
InChIKeyRICBXFQFROATAU-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

About 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide

5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide (PubChem CID 109294618) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
PubChem CID109294618
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC Name5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-2-1-3-11(19)16(10)25-15-8-22-14(7-23-15)17(26)24-9-4-5-12(20)13(21)6-9/h1-8H,(H,23,25)(H,24,26)
InChIKeyRICBXFQFROATAU-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide (CID 109294618) is 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide?
The InChIKey is RICBXFQFROATAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-10-2-1-3-11(19)16(10)25-15-8-22-14(7-23-15)17(26)24-9-4-5-12(20)13(21)6-9/h1-8H,(H,23,25)(H,24,26).
What are the key properties of 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide?
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide has a molecular weight of 395.20 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).