N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C144H144BrF7IN15O5 — CID 158930296

IUPACN-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-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)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C29H30BrN3O.C29H26F5N3O.C29H29F2N3O.C29H30IN3O.C28H29N3O/c30-24-8-6-19(7-9-24)13-27(34)33-28-25(32-26(18-31-28)23-4-2-1-3-5-23)17-29-14-20-10-21(15-29)12-22(11-20)16-29;30-23-19(24(31)26(33)27(34)25(23)32)9-22(38)37-28-20(36-21(14-35-28)18-4-2-1-3-5-18)13-29-10-15-6-16(11-29)8-17(7-15)12-29;30-23-7-6-18(11-24(23)31)12-27(35)34-28-25(33-26(17-32-28)22-4-2-1-3-5-22)16-29-13-19-8-20(14-29)10-21(9-19)15-29;30-24-8-6-19(7-9-24)13-27(34)33-28-25(32-26(18-31-28)23-4-2-1-3-5-23)17-29-14-20-10-21(15-29)12-22(11-20)16-29;32-27(23-9-5-2-6-10-23)31-26-24(30-25(18-29-26)22-7-3-1-4-8-22)17-28-14-19-11-20(15-28)13-21(12-19)16-28/h1-9,18,20-22H,10-17H2,(H,31,33,34);1-5,14-17H,6-13H2,(H,35,37,38);1-7,11,17,19-21H,8-10,12-16H2,(H,32,34,35);1-9,18,20-22H,10-17H2,(H,31,33,34);1-10,18-21H,11-17H2,(H,29,31,32)
InChIKeyJIYUOINWQFCECX-UHFFFAOYSA-N
MW2504.63 g/mol
LogP32.83
Rot. Bonds29

About N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 158930296) has the molecular formula C144H144BrF7IN15O5 and a molecular weight of 2504.63 g/mol. Its IUPAC name is N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID158930296
Molecular FormulaC144H144BrF7IN15O5
Molecular Weight2504.63 g/mol
Exact Mass2501.96
IUPAC NameN-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-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)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C29H30BrN3O.C29H26F5N3O.C29H29F2N3O.C29H30IN3O.C28H29N3O/c30-24-8-6-19(7-9-24)13-27(34)33-28-25(32-26(18-31-28)23-4-2-1-3-5-23)17-29-14-20-10-21(15-29)12-22(11-20)16-29;30-23-19(24(31)26(33)27(34)25(23)32)9-22(38)37-28-20(36-21(14-35-28)18-4-2-1-3-5-18)13-29-10-15-6-16(11-29)8-17(7-15)12-29;30-23-7-6-18(11-24(23)31)12-27(35)34-28-25(33-26(17-32-28)22-4-2-1-3-5-22)16-29-13-19-8-20(14-29)10-21(9-19)15-29;30-24-8-6-19(7-9-24)13-27(34)33-28-25(32-26(18-31-28)23-4-2-1-3-5-23)17-29-14-20-10-21(15-29)12-22(11-20)16-29;32-27(23-9-5-2-6-10-23)31-26-24(30-25(18-29-26)22-7-3-1-4-8-22)17-28-14-19-11-20(15-28)13-21(12-19)16-28/h1-9,18,20-22H,10-17H2,(H,31,33,34);1-5,14-17H,6-13H2,(H,35,37,38);1-7,11,17,19-21H,8-10,12-16H2,(H,32,34,35);1-9,18,20-22H,10-17H2,(H,31,33,34);1-10,18-21H,11-17H2,(H,29,31,32)
InChIKeyJIYUOINWQFCECX-UHFFFAOYSA-N
XLogP32.83
TPSA274.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002504.63
LogP ≤ 532.83
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 158930296) is N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-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)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2.O=C(Nc1ncc(-c2ccccc2)nc1CC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is JIYUOINWQFCECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrN3O.C29H26F5N3O.C29H29F2N3O.C29H30IN3O.C28H29N3O/c30-24-8-6-19(7-9-24)13-27(34)33-28-25(32-26(18-31-28)23-4-2-1-3-5-23)17-29-14-20-10-21(15-29)12-22(11-20)16-29;30-23-19(24(31)26(33)27(34)25(23)32)9-22(38)37-28-20(36-21(14-35-28)18-4-2-1-3-5-18)13-29-10-15-6-16(11-29)8-17(7-15)12-29;30-23-7-6-18(11-24(23)31)12-27(35)34-28-25(33-26(17-32-28)22-4-2-1-3-5-22)16-29-13-19-8-20(14-29)10-21(9-19)15-29;30-24-8-6-19(7-9-24)13-27(34)33-28-25(32-26(18-31-28)23-4-2-1-3-5-23)17-29-14-20-10-21(15-29)12-22(11-20)16-29;32-27(23-9-5-2-6-10-23)31-26-24(30-25(18-29-26)22-7-3-1-4-8-22)17-28-14-19-11-20(15-28)13-21(12-19)16-28/h1-9,18,20-22H,10-17H2,(H,31,33,34);1-5,14-17H,6-13H2,(H,35,37,38);1-7,11,17,19-21H,8-10,12-16H2,(H,32,34,35);1-9,18,20-22H,10-17H2,(H,31,33,34);1-10,18-21H,11-17H2,(H,29,31,32).
What are the key properties of N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 2504.63 g/mol, XLogP of 32.83, 29 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(1-adamantylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 158930296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).