N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide

C17H12ClFN4O — CID 109292634

IUPACN-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H12ClFN4O/c18-13-6-1-2-7-14(13)23-17(24)15-9-21-16(10-20-15)22-12-5-3-4-11(19)8-12/h1-10H,(H,21,22)(H,23,24)
InChIKeyHYSXRRQLHWYLEQ-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

About N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide

N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 109292634) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
PubChem CID109292634
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC NameN-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H12ClFN4O/c18-13-6-1-2-7-14(13)23-17(24)15-9-21-16(10-20-15)22-12-5-3-4-11(19)8-12/h1-10H,(H,21,22)(H,23,24)
InChIKeyHYSXRRQLHWYLEQ-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293359
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide (CID 109292634) is N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is HYSXRRQLHWYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-13-6-1-2-7-14(13)23-17(24)15-9-21-16(10-20-15)22-12-5-3-4-11(19)8-12/h1-10H,(H,21,22)(H,23,24).
What are the key properties of N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).