N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide

C20H16ClFN4O2 — CID 68558954

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NCCc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN4O2/c21-15-5-1-13(2-6-15)9-10-25-20(28)17-18(24-12-11-23-17)26-19(27)14-3-7-16(22)8-4-14/h1-8,11-12H,9-10H2,(H,25,28)(H,24,26,27)
InChIKeyWYIPSPWPJWLFAS-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 68558954) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
PubChem CID68558954
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NCCc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN4O2/c21-15-5-1-13(2-6-15)9-10-25-20(28)17-18(24-12-11-23-17)26-19(27)14-3-7-16(22)8-4-14/h1-8,11-12H,9-10H2,(H,25,28)(H,24,26,27)
InChIKeyWYIPSPWPJWLFAS-UHFFFAOYSA-N
XLogP3.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide (CID 68558954) is N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NCCc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is WYIPSPWPJWLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c21-15-5-1-13(2-6-15)9-10-25-20(28)17-18(24-12-11-23-17)26-19(27)14-3-7-16(22)8-4-14/h1-8,11-12H,9-10H2,(H,25,28)(H,24,26,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 68558954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).