N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide

C17H11ClFN3O2 — CID 154695920

IUPACN-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)c(Cl)c1)c1cnccn1
InChIInChI=1S/C17H11ClFN3O2/c18-14-9-12(22-17(23)15-10-20-6-7-21-15)4-5-16(14)24-13-3-1-2-11(19)8-13/h1-10H,(H,22,23)
InChIKeyRPNQBIBVFWTZBK-UHFFFAOYSA-N
MW343.75 g/mol
LogP4.31
Rot. Bonds4

About N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide

N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 154695920) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide
PubChem CID154695920
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC NameN-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)c(Cl)c1)c1cnccn1
InChIInChI=1S/C17H11ClFN3O2/c18-14-9-12(22-17(23)15-10-20-6-7-21-15)4-5-16(14)24-13-3-1-2-11(19)8-13/h1-10H,(H,22,23)
InChIKeyRPNQBIBVFWTZBK-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide (CID 154695920) is N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)c(Cl)c1)c1cnccn1.
What is the InChIKey of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is RPNQBIBVFWTZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-14-9-12(22-17(23)15-10-20-6-7-21-15)4-5-16(14)24-13-3-1-2-11(19)8-13/h1-10H,(H,22,23).
What are the key properties of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide?
N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 343.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 154695920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).