2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C129H134BrF7IN15O5 — CID 157191765

IUPAC2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C26H28BrN3O.C26H24F5N3O.C26H27F2N3O.C26H28IN3O.C25H27N3O/c27-22-14-11-20(12-15-22)17-25(31)30-26-23(16-13-19-7-3-1-4-8-19)29-24(18-28-26)21-9-5-2-6-10-21;27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16;27-21-13-11-19(15-22(21)28)16-25(32)31-26-23(14-12-18-7-3-1-4-8-18)30-24(17-29-26)20-9-5-2-6-10-20;27-22-14-11-20(12-15-22)17-25(31)30-26-23(16-13-19-7-3-1-4-8-19)29-24(18-28-26)21-9-5-2-6-10-21;29-25(21-14-8-3-9-15-21)28-24-22(17-16-19-10-4-1-5-11-19)27-23(18-26-24)20-12-6-2-7-13-20/h2,5-6,9-12,14-15,18-19H,1,3-4,7-8,13,16-17H2,(H,28,30,31);2,5-6,9-10,14-15H,1,3-4,7-8,11-13H2,(H,32,34,35);2,5-6,9-11,13,15,17-18H,1,3-4,7-8,12,14,16H2,(H,29,31,32);2,5-6,9-12,14-15,18-19H,1,3-4,7-8,13,16-17H2,(H,28,30,31);2-3,6-9,12-15,18-19H,1,4-5,10-11,16-17H2,(H,26,28,29)
InChIKeyAPTWQZFTMXCCQT-UHFFFAOYSA-N
MW2314.38 g/mol
LogP31.60
Rot. Bonds34

About 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 157191765) has the molecular formula C129H134BrF7IN15O5 and a molecular weight of 2314.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID157191765
Molecular FormulaC129H134BrF7IN15O5
Molecular Weight2314.38 g/mol
Exact Mass2311.88
IUPAC Name2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C26H28BrN3O.C26H24F5N3O.C26H27F2N3O.C26H28IN3O.C25H27N3O/c27-22-14-11-20(12-15-22)17-25(31)30-26-23(16-13-19-7-3-1-4-8-19)29-24(18-28-26)21-9-5-2-6-10-21;27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16;27-21-13-11-19(15-22(21)28)16-25(32)31-26-23(14-12-18-7-3-1-4-8-18)30-24(17-29-26)20-9-5-2-6-10-20;27-22-14-11-20(12-15-22)17-25(31)30-26-23(16-13-19-7-3-1-4-8-19)29-24(18-28-26)21-9-5-2-6-10-21;29-25(21-14-8-3-9-15-21)28-24-22(17-16-19-10-4-1-5-11-19)27-23(18-26-24)20-12-6-2-7-13-20/h2,5-6,9-12,14-15,18-19H,1,3-4,7-8,13,16-17H2,(H,28,30,31);2,5-6,9-10,14-15H,1,3-4,7-8,11-13H2,(H,32,34,35);2,5-6,9-11,13,15,17-18H,1,3-4,7-8,12,14,16H2,(H,29,31,32);2,5-6,9-12,14-15,18-19H,1,3-4,7-8,13,16-17H2,(H,28,30,31);2-3,6-9,12-15,18-19H,1,4-5,10-11,16-17H2,(H,26,28,29)
InChIKeyAPTWQZFTMXCCQT-UHFFFAOYSA-N
XLogP31.60
TPSA274.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.38
LogP ≤ 531.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 157191765) is 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1.O=C(Nc1ncc(-c2ccccc2)nc1CCC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is APTWQZFTMXCCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN3O.C26H24F5N3O.C26H27F2N3O.C26H28IN3O.C25H27N3O/c27-22-14-11-20(12-15-22)17-25(31)30-26-23(16-13-19-7-3-1-4-8-19)29-24(18-28-26)21-9-5-2-6-10-21;27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16;27-21-13-11-19(15-22(21)28)16-25(32)31-26-23(14-12-18-7-3-1-4-8-18)30-24(17-29-26)20-9-5-2-6-10-20;27-22-14-11-20(12-15-22)17-25(31)30-26-23(16-13-19-7-3-1-4-8-19)29-24(18-28-26)21-9-5-2-6-10-21;29-25(21-14-8-3-9-15-21)28-24-22(17-16-19-10-4-1-5-11-19)27-23(18-26-24)20-12-6-2-7-13-20/h2,5-6,9-12,14-15,18-19H,1,3-4,7-8,13,16-17H2,(H,28,30,31);2,5-6,9-10,14-15H,1,3-4,7-8,11-13H2,(H,32,34,35);2,5-6,9-11,13,15,17-18H,1,3-4,7-8,12,14,16H2,(H,29,31,32);2,5-6,9-12,14-15,18-19H,1,3-4,7-8,13,16-17H2,(H,28,30,31);2-3,6-9,12-15,18-19H,1,4-5,10-11,16-17H2,(H,26,28,29).
What are the key properties of 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 2314.38 g/mol, XLogP of 31.60, 34 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 157191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).