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

C124H124BrF7IN15O5 — CID 159531859

IUPAC2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-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)nc1CC1CCCCC1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Nc1ncc(-c2ccccc2)nc1CC1CCCCC1)c1ccccc1
InChIInChI=1S/C25H26BrN3O.C25H22F5N3O.C25H25F2N3O.C25H26IN3O.C24H25N3O/c26-21-13-11-19(12-14-21)16-24(30)29-25-22(15-18-7-3-1-4-8-18)28-23(17-27-25)20-9-5-2-6-10-20;26-20-16(21(27)23(29)24(30)22(20)28)12-19(34)33-25-17(11-14-7-3-1-4-8-14)32-18(13-31-25)15-9-5-2-6-10-15;26-20-12-11-18(13-21(20)27)15-24(31)30-25-22(14-17-7-3-1-4-8-17)29-23(16-28-25)19-9-5-2-6-10-19;26-21-13-11-19(12-14-21)16-24(30)29-25-22(15-18-7-3-1-4-8-18)28-23(17-27-25)20-9-5-2-6-10-20;28-24(20-14-8-3-9-15-20)27-23-21(16-18-10-4-1-5-11-18)26-22(17-25-23)19-12-6-2-7-13-19/h2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H,27,29,30);2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,31,33,34);2,5-6,9-13,16-17H,1,3-4,7-8,14-15H2,(H,28,30,31);2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H,27,29,30);2-3,6-9,12-15,17-18H,1,4-5,10-11,16H2,(H,25,27,28)
InChIKeyMDCFRCKODWCJJE-UHFFFAOYSA-N
MW2244.25 g/mol
LogP29.65
Rot. Bonds29

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

2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 159531859) has the molecular formula C124H124BrF7IN15O5 and a molecular weight of 2244.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID159531859
Molecular FormulaC124H124BrF7IN15O5
Molecular Weight2244.25 g/mol
Exact Mass2241.80
IUPAC Name2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-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)nc1CC1CCCCC1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Nc1ncc(-c2ccccc2)nc1CC1CCCCC1)c1ccccc1
InChIInChI=1S/C25H26BrN3O.C25H22F5N3O.C25H25F2N3O.C25H26IN3O.C24H25N3O/c26-21-13-11-19(12-14-21)16-24(30)29-25-22(15-18-7-3-1-4-8-18)28-23(17-27-25)20-9-5-2-6-10-20;26-20-16(21(27)23(29)24(30)22(20)28)12-19(34)33-25-17(11-14-7-3-1-4-8-14)32-18(13-31-25)15-9-5-2-6-10-15;26-20-12-11-18(13-21(20)27)15-24(31)30-25-22(14-17-7-3-1-4-8-17)29-23(16-28-25)19-9-5-2-6-10-19;26-21-13-11-19(12-14-21)16-24(30)29-25-22(15-18-7-3-1-4-8-18)28-23(17-27-25)20-9-5-2-6-10-20;28-24(20-14-8-3-9-15-20)27-23-21(16-18-10-4-1-5-11-18)26-22(17-25-23)19-12-6-2-7-13-19/h2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H,27,29,30);2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,31,33,34);2,5-6,9-13,16-17H,1,3-4,7-8,14-15H2,(H,28,30,31);2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H,27,29,30);2-3,6-9,12-15,17-18H,1,4-5,10-11,16H2,(H,25,27,28)
InChIKeyMDCFRCKODWCJJE-UHFFFAOYSA-N
XLogP29.65
TPSA274.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.25
LogP ≤ 529.65
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-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 159531859) is 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-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)nc1CC1CCCCC1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1CC1CCCCC1.O=C(Nc1ncc(-c2ccccc2)nc1CC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is MDCFRCKODWCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O.C25H22F5N3O.C25H25F2N3O.C25H26IN3O.C24H25N3O/c26-21-13-11-19(12-14-21)16-24(30)29-25-22(15-18-7-3-1-4-8-18)28-23(17-27-25)20-9-5-2-6-10-20;26-20-16(21(27)23(29)24(30)22(20)28)12-19(34)33-25-17(11-14-7-3-1-4-8-14)32-18(13-31-25)15-9-5-2-6-10-15;26-20-12-11-18(13-21(20)27)15-24(31)30-25-22(14-17-7-3-1-4-8-17)29-23(16-28-25)19-9-5-2-6-10-19;26-21-13-11-19(12-14-21)16-24(30)29-25-22(15-18-7-3-1-4-8-18)28-23(17-27-25)20-9-5-2-6-10-20;28-24(20-14-8-3-9-15-20)27-23-21(16-18-10-4-1-5-11-18)26-22(17-25-23)19-12-6-2-7-13-19/h2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H,27,29,30);2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,31,33,34);2,5-6,9-13,16-17H,1,3-4,7-8,14-15H2,(H,28,30,31);2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H,27,29,30);2-3,6-9,12-15,17-18H,1,4-5,10-11,16H2,(H,25,27,28).
What are the key properties of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 2244.25 g/mol, XLogP of 29.65, 29 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-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]benzamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 159531859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).