1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone

C155H184Cl2F6N10O11S — CID 161219897

About 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 161219897) has the molecular formula C155H184Cl2F6N10O11S and a molecular weight of 2580.20 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone
• PubChem CID: 161219897
• Molecular Formula: C155H184Cl2F6N10O11S
• Molecular Weight: 2580.20 g/mol
• Exact Mass: 2577.31
• IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone
• SMILES: Cc1cc(C(=O)CC2CCCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CC2CCCCC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CC2CCCCN2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CC2CCCN2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CC2CCOCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CC2CCOCC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)COC2CCCCC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CSC2CCCCC2)c(C)n1-c1ccc(F)cc1
• InChI: InChI=1S/C20H24ClNO.C20H24FNO2.C20H24FNOS.C20H24FNO.C19H22ClNO2.C19H23FN2O.C19H22FNO2.C18H21FN2O/c1-14-12-19(20(23)13-16-6-4-3-5-7-16)15(2)22(14)18-10-8-17(21)9-11-18;2*1-14-12-19(20(23)13-24-18-6-4-3-5-7-18)15(2)22(14)17-10-8-16(21)9-11-17;1-14-12-19(20(23)13-16-6-4-3-5-7-16)15(2)22(14)18-10-8-17(21)9-11-18;1-13-11-18(19(22)12-15-7-9-23-10-8-15)14(2)21(13)17-5-3-16(20)4-6-17;1-13-11-18(19(23)12-16-5-3-4-10-21-16)14(2)22(13)17-8-6-15(20)7-9-17;1-13-11-18(19(22)12-15-7-9-23-10-8-15)14(2)21(13)17-5-3-16(20)4-6-17;1-12-10-17(18(22)11-15-4-3-9-20-15)13(2)21(12)16-7-5-14(19)6-8-16/h8-12,16H,3-7,13H2,1-2H3;2*8-12,18H,3-7,13H2,1-2H3;8-12,16H,3-7,13H2,1-2H3;3-6,11,15H,7-10,12H2,1-2H3;6-9,11,16,21H,3-5,10,12H2,1-2H3;3-6,11,15H,7-10,12H2,1-2H3;5-8,10,15,20H,3-4,9,11H2,1-2H3
• InChIKey: UXJGBUCFIFYQIR-UHFFFAOYSA-N
• XLogP: 38.02
• TPSA: 227.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2580.20
LogP ≤ 5	38.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone?

The IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone (CID 161219897) is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone?

The canonical SMILES for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone is Cc1cc(C(=O)CC2CCCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CC2CCCCC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CC2CCCCN2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CC2CCCN2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CC2CCOCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CC2CCOCC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)COC2CCCCC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CSC2CCCCC2)c(C)n1-c1ccc(F)cc1.

What is the InChIKey of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone?

The InChIKey is UXJGBUCFIFYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO.C20H24FNO2.C20H24FNOS.C20H24FNO.C19H22ClNO2.C19H23FN2O.C19H22FNO2.C18H21FN2O/c1-14-12-19(20(23)13-16-6-4-3-5-7-16)15(2)22(14)18-10-8-17(21)9-11-18;2*1-14-12-19(20(23)13-24-18-6-4-3-5-7-18)15(2)22(14)17-10-8-16(21)9-11-17;1-14-12-19(20(23)13-16-6-4-3-5-7-16)15(2)22(14)18-10-8-17(21)9-11-18;1-13-11-18(19(22)12-15-7-9-23-10-8-15)14(2)21(13)17-5-3-16(20)4-6-17;1-13-11-18(19(23)12-16-5-3-4-10-21-16)14(2)22(13)17-8-6-15(20)7-9-17;1-13-11-18(19(22)12-15-7-9-23-10-8-15)14(2)21(13)17-5-3-16(20)4-6-17;1-12-10-17(18(22)11-15-4-3-9-20-15)13(2)21(12)16-7-5-14(19)6-8-16/h8-12,16H,3-7,13H2,1-2H3;2*8-12,18H,3-7,13H2,1-2H3;8-12,16H,3-7,13H2,1-2H3;3-6,11,15H,7-10,12H2,1-2H3;6-9,11,16,21H,3-5,10,12H2,1-2H3;3-6,11,15H,7-10,12H2,1-2H3;5-8,10,15,20H,3-4,9,11H2,1-2H3.

What are the key properties of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone?

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 2580.20 g/mol, XLogP of 38.02, 34 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyclohexylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;2-cyclohexyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-cyclohexylsulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(oxan-4-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-2-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 161219897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).