5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

C19H16ClFN4O — CID 109284282

IUPAC5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C19H16ClFN4O/c20-14-6-2-4-8-16(14)25-18-12-23-17(11-24-18)19(26)22-10-9-13-5-1-3-7-15(13)21/h1-8,11-12H,9-10H2,(H,22,26)(H,24,25)
InChIKeyFBKOJMQXFLZYFW-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.99
Rot. Bonds6

About 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284282) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284282
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C19H16ClFN4O/c20-14-6-2-4-8-16(14)25-18-12-23-17(11-24-18)19(26)22-10-9-13-5-1-3-7-15(13)21/h1-8,11-12H,9-10H2,(H,22,26)(H,24,25)
InChIKeyFBKOJMQXFLZYFW-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284289
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172487
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281677
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide (CID 109284282) is 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccccc1F)c1cnc(Nc2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is FBKOJMQXFLZYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-14-6-2-4-8-16(14)25-18-12-23-17(11-24-18)19(26)22-10-9-13-5-1-3-7-15(13)21/h1-8,11-12H,9-10H2,(H,22,26)(H,24,25).
What are the key properties of 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).