N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide

C18H12ClF3N4O — CID 109292840

IUPACN-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C18H12ClF3N4O/c19-12-4-6-13(7-5-12)26-17(27)15-9-24-16(10-23-15)25-14-3-1-2-11(8-14)18(20,21)22/h1-10H,(H,24,25)(H,26,27)
InChIKeyJPXHMUVXYCYVLT-UHFFFAOYSA-N
MW392.77 g/mol
LogP5.14
Rot. Bonds4

About N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide

N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 109292840) has the molecular formula C18H12ClF3N4O and a molecular weight of 392.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID109292840
Molecular FormulaC18H12ClF3N4O
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC NameN-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C18H12ClF3N4O/c19-12-4-6-13(7-5-12)26-17(27)15-9-24-16(10-23-15)25-14-3-1-2-11(8-14)18(20,21)22/h1-10H,(H,24,25)(H,26,27)
InChIKeyJPXHMUVXYCYVLT-UHFFFAOYSA-N
XLogP5.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.77
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 109292840) is N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is JPXHMUVXYCYVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O/c19-12-4-6-13(7-5-12)26-17(27)15-9-24-16(10-23-15)25-14-3-1-2-11(8-14)18(20,21)22/h1-10H,(H,24,25)(H,26,27).
What are the key properties of N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 392.77 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109292840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).