5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C18H12F4N4O — CID 109292424

IUPAC5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C18H12F4N4O/c19-12-6-2-4-8-14(12)25-16-10-23-15(9-24-16)17(27)26-13-7-3-1-5-11(13)18(20,21)22/h1-10H,(H,24,25)(H,26,27)
InChIKeyZRMRSNNJBDADHZ-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.63
Rot. Bonds4

About 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109292424) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109292424
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC Name5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C18H12F4N4O/c19-12-6-2-4-8-14(12)25-16-10-23-15(9-24-16)17(27)26-13-7-3-1-5-11(13)18(20,21)22/h1-10H,(H,24,25)(H,26,27)
InChIKeyZRMRSNNJBDADHZ-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109293991
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200277
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109292255
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109292424) is 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cnc(Nc2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZRMRSNNJBDADHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-12-6-2-4-8-14(12)25-16-10-23-15(9-24-16)17(27)26-13-7-3-1-5-11(13)18(20,21)22/h1-10H,(H,24,25)(H,26,27).
What are the key properties of 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109292424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).