N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide

C17H10Cl2F2N4O — CID 109294513

IUPACN-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-2-1-3-13(16(10)19)25-17(26)14-7-23-15(8-22-14)24-12-5-4-9(20)6-11(12)21/h1-8H,(H,23,24)(H,25,26)
InChIKeyXYEJTZPMODVGAV-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

About N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide

N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109294513) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109294513
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-2-1-3-13(16(10)19)25-17(26)14-7-23-15(8-22-14)24-12-5-4-9(20)6-11(12)21/h1-8H,(H,23,24)(H,25,26)
InChIKeyXYEJTZPMODVGAV-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-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510
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
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504
5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294492
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291993
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide (CID 109294513) is N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is XYEJTZPMODVGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-10-2-1-3-13(16(10)19)25-17(26)14-7-23-15(8-22-14)24-12-5-4-9(20)6-11(12)21/h1-8H,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)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 N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).