5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide

C17H12BrFN4O — CID 109294334

IUPAC5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)23-16-10-20-15(9-21-16)17(24)22-12-5-3-4-11(19)8-12/h1-10H,(H,21,23)(H,22,24)
InChIKeyJSICICAIMACTEF-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

About 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide

5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109294334) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109294334
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC Name5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)23-16-10-20-15(9-21-16)17(24)22-12-5-3-4-11(19)8-12/h1-10H,(H,21,23)(H,22,24)
InChIKeyJSICICAIMACTEF-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

5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293359
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293907
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide (CID 109294334) is 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is JSICICAIMACTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)23-16-10-20-15(9-21-16)17(24)22-12-5-3-4-11(19)8-12/h1-10H,(H,21,23)(H,22,24).
What are the key properties of 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
5-(2-bromoanilino)-N-(3-fluorophenyl)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 5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).