N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide

C17H12BrFN4O — CID 109293359

IUPACN-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H12BrFN4O/c18-11-4-6-13(7-5-11)23-17(24)15-9-21-16(10-20-15)22-14-3-1-2-12(19)8-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyWATHMKPLOHLFED-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

About N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide

N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 109293359) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
PubChem CID109293359
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC NameN-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H12BrFN4O/c18-11-4-6-13(7-5-11)23-17(24)15-9-21-16(10-20-15)22-14-3-1-2-12(19)8-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyWATHMKPLOHLFED-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.37
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
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-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide (CID 109293359) is N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnc(Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is WATHMKPLOHLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-11-4-6-13(7-5-11)23-17(24)15-9-21-16(10-20-15)22-14-3-1-2-12(19)8-14/h1-10H,(H,21,22)(H,23,24).
What are the key properties of N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide?
N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 387.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).