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

C17H10Cl2F2N4O — CID 109294492

IUPAC5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-11-3-2-10(6-12(11)19)24-16-8-22-15(7-23-16)17(26)25-14-4-1-9(20)5-13(14)21/h1-8H,(H,23,24)(H,25,26)
InChIKeyARMIASDBNGSCHI-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

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

5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide (PubChem CID 109294492) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
PubChem CID109294492
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC Name5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-11-3-2-10(6-12(11)19)24-16-8-22-15(7-23-16)17(26)25-14-4-1-9(20)5-13(14)21/h1-8H,(H,23,24)(H,25,26)
InChIKeyARMIASDBNGSCHI-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-(2,4-difluorophenyl)-5-(4-ethylanilino)pyrazine-2-carboxamide
CID 109291695
N-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294517
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291993

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide (CID 109294492) is 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide?
The InChIKey is ARMIASDBNGSCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-11-3-2-10(6-12(11)19)24-16-8-22-15(7-23-16)17(26)25-14-4-1-9(20)5-13(14)21/h1-8H,(H,23,24)(H,25,26).
What are the key properties of 5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide?
5-(3,4-dichloroanilino)-N-(2,4-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-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).