5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide

C19H15F3N4O — CID 109284497

IUPAC5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H15F3N4O/c20-13-3-1-12(2-4-13)7-8-23-19(27)17-10-25-18(11-24-17)26-14-5-6-15(21)16(22)9-14/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26)
InChIKeyRUJJMRHPBIVSCM-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.61
Rot. Bonds6

About 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide

5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284497) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284497
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H15F3N4O/c20-13-3-1-12(2-4-13)7-8-23-19(27)17-10-25-18(11-24-17)26-14-5-6-15(21)16(22)9-14/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26)
InChIKeyRUJJMRHPBIVSCM-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide (CID 109284497) is 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cnc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is RUJJMRHPBIVSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-13-3-1-12(2-4-13)7-8-23-19(27)17-10-25-18(11-24-17)26-14-5-6-15(21)16(22)9-14/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).