5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide

C23H19Cl2F2N3O — CID 11178712

IUPAC5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19Cl2F2N3O/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31)
InChIKeyZGTSOVCXRVNEHY-UHFFFAOYSA-N
MW462.33 g/mol
LogP6.43
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide

5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide (PubChem CID 11178712) has the molecular formula C23H19Cl2F2N3O and a molecular weight of 462.33 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide
PubChem CID11178712
Molecular FormulaC23H19Cl2F2N3O
Molecular Weight462.33 g/mol
Exact Mass461.09
IUPAC Name5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19Cl2F2N3O/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31)
InChIKeyZGTSOVCXRVNEHY-UHFFFAOYSA-N
XLogP6.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide (CID 11178712) is 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide is O=C(NC1CCC(F)(F)CC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide?
The InChIKey is ZGTSOVCXRVNEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F2N3O/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31).
What are the key properties of 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide?
5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide has a molecular weight of 462.33 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11178712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).