N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide

C18H14ClFN4O — CID 109282066

IUPACN-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C18H14ClFN4O/c19-13-6-4-12(5-7-13)9-23-18(25)16-10-22-17(11-21-16)24-15-3-1-2-14(20)8-15/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyGCSVQLCOTPUHMX-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 109282066) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
PubChem CID109282066
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C18H14ClFN4O/c19-13-6-4-12(5-7-13)9-23-18(25)16-10-22-17(11-21-16)24-15-3-1-2-14(20)8-15/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyGCSVQLCOTPUHMX-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109282628
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide (CID 109282066) is N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(Nc2cccc(F)c2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is GCSVQLCOTPUHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-6-4-12(5-7-13)9-23-18(25)16-10-22-17(11-21-16)24-15-3-1-2-14(20)8-15/h1-8,10-11H,9H2,(H,22,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).