N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide

C17H10Cl2F3N3O3 — CID 129316245

IUPACN-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(OCC(F)(F)F)cnc1-c1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C17H10Cl2F3N3O3/c18-9-3-4-10(11(19)6-9)14-15(25-16(26)12-2-1-5-27-12)24-13(7-23-14)28-8-17(20,21)22/h1-7H,8H2,(H,24,25,26)
InChIKeyCZELWWYFSNDWIJ-UHFFFAOYSA-N
MW432.19 g/mol
LogP5.24
Rot. Bonds5

About N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide

N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide (PubChem CID 129316245) has the molecular formula C17H10Cl2F3N3O3 and a molecular weight of 432.19 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide
PubChem CID129316245
Molecular FormulaC17H10Cl2F3N3O3
Molecular Weight432.19 g/mol
Exact Mass431.01
IUPAC NameN-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(OCC(F)(F)F)cnc1-c1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C17H10Cl2F3N3O3/c18-9-3-4-10(11(19)6-9)14-15(25-16(26)12-2-1-5-27-12)24-13(7-23-14)28-8-17(20,21)22/h1-7H,8H2,(H,24,25,26)
InChIKeyCZELWWYFSNDWIJ-UHFFFAOYSA-N
XLogP5.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.19
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide (CID 129316245) is N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide is O=C(Nc1nc(OCC(F)(F)F)cnc1-c1ccc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide?
The InChIKey is CZELWWYFSNDWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O3/c18-9-3-4-10(11(19)6-9)14-15(25-16(26)12-2-1-5-27-12)24-13(7-23-14)28-8-17(20,21)22/h1-7H,8H2,(H,24,25,26).
What are the key properties of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide?
N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide has a molecular weight of 432.19 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 129316245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).