N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

C17H9ClF4N4O — CID 109293212

IUPACN-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H9ClF4N4O/c18-9-5-8(1-2-10(9)19)25-17(27)13-6-24-14(7-23-13)26-12-4-3-11(20)15(21)16(12)22/h1-7H,(H,24,26)(H,25,27)
InChIKeyRRDHRAJFHBASOT-UHFFFAOYSA-N
MW396.73 g/mol
LogP4.68
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (PubChem CID 109293212) has the molecular formula C17H9ClF4N4O and a molecular weight of 396.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
PubChem CID109293212
Molecular FormulaC17H9ClF4N4O
Molecular Weight396.73 g/mol
Exact Mass396.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H9ClF4N4O/c18-9-5-8(1-2-10(9)19)25-17(27)13-6-24-14(7-23-13)26-12-4-3-11(20)15(21)16(12)22/h1-7H,(H,24,26)(H,25,27)
InChIKeyRRDHRAJFHBASOT-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.73
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292117
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (CID 109293212) is N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The InChIKey is RRDHRAJFHBASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4N4O/c18-9-5-8(1-2-10(9)19)25-17(27)13-6-24-14(7-23-13)26-12-4-3-11(20)15(21)16(12)22/h1-7H,(H,24,26)(H,25,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide has a molecular weight of 396.73 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).