N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane

C32H40F5N3O — CID 143000147

IUPACN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane
SMILESCC.CC.Cc1c(F)c(F)c(F)c(F)c1CC(=O)N(C)c1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1
InChIInChI=1S/C28H28F5N3O.2C2H6/c1-16-20(25(31)27(33)26(32)24(16)30)14-23(37)36(2)28-21(13-8-17-6-4-3-5-7-17)35-22(15-34-28)18-9-11-19(29)12-10-18;2*1-2/h9-12,15,17H,3-8,13-14H2,1-2H3;2*1-2H3
InChIKeyCJLIEZIDWGABAR-UHFFFAOYSA-N
MW577.68 g/mol
LogP8.92
Rot. Bonds7

About N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane

N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane (PubChem CID 143000147) has the molecular formula C32H40F5N3O and a molecular weight of 577.68 g/mol. Its IUPAC name is N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane.

Molecular Properties

Compound NameN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane
PubChem CID143000147
Molecular FormulaC32H40F5N3O
Molecular Weight577.68 g/mol
Exact Mass577.31
IUPAC NameN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane
SMILESCC.CC.Cc1c(F)c(F)c(F)c(F)c1CC(=O)N(C)c1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1
InChIInChI=1S/C28H28F5N3O.2C2H6/c1-16-20(25(31)27(33)26(32)24(16)30)14-23(37)36(2)28-21(13-8-17-6-4-3-5-7-17)35-22(15-34-28)18-9-11-19(29)12-10-18;2*1-2/h9-12,15,17H,3-8,13-14H2,1-2H3;2*1-2H3
InChIKeyCJLIEZIDWGABAR-UHFFFAOYSA-N
XLogP8.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane?
The IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane (CID 143000147) is N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane.
What is the SMILES notation for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane?
The canonical SMILES for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane is CC.CC.Cc1c(F)c(F)c(F)c(F)c1CC(=O)N(C)c1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.
What is the InChIKey of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane?
The InChIKey is CJLIEZIDWGABAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F5N3O.2C2H6/c1-16-20(25(31)27(33)26(32)24(16)30)14-23(37)36(2)28-21(13-8-17-6-4-3-5-7-17)35-22(15-34-28)18-9-11-19(29)12-10-18;2*1-2/h9-12,15,17H,3-8,13-14H2,1-2H3;2*1-2H3.
What are the key properties of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane?
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane has a molecular weight of 577.68 g/mol, XLogP of 8.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-N-methyl-2-(2,3,4,5-tetrafluoro-6-methylphenyl)acetamide;ethane is sourced from PubChem (CID 143000147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).