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

C17H11Cl2FN4O — CID 109292662

IUPAC5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C17H11Cl2FN4O/c18-11-3-1-2-4-14(11)24-16-9-21-15(8-22-16)17(25)23-10-5-6-13(20)12(19)7-10/h1-9H,(H,22,24)(H,23,25)
InChIKeyHFZHPDNVYCDMKS-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

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

5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109292662) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109292662
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC Name5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C17H11Cl2FN4O/c18-11-3-1-2-4-14(11)24-16-9-21-15(8-22-16)17(25)23-10-5-6-13(20)12(19)7-10/h1-9H,(H,22,24)(H,23,25)
InChIKeyHFZHPDNVYCDMKS-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide (CID 109292662) is 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cnc(Nc2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is HFZHPDNVYCDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-11-3-1-2-4-14(11)24-16-9-21-15(8-22-16)17(25)23-10-5-6-13(20)12(19)7-10/h1-9H,(H,22,24)(H,23,25).
What are the key properties of 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide?
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).