N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C68H44F12N6O7 — CID 161218425

About N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 161218425) has the molecular formula C68H44F12N6O7 and a molecular weight of 1285.11 g/mol. Its IUPAC name is N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 161218425
• Molecular Formula: C68H44F12N6O7
• Molecular Weight: 1285.11 g/mol
• Exact Mass: 1284.31
• IUPAC Name: N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
• SMILES: CC(=O)N(C(C)=O)C1C=C=C(Oc2ccc(C)cc2)C=C1.Cc1ccc(C(c2ccc3c(c2)C(=O)n2c-3nc3ccc(-c4ccc5nc6n(c5c4)C(=O)c4cc(C(c5ccc7c(c5)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)ccc4-6)cc32)(C(F)(F)F)C(F)(F)F)cc1C
• InChI: InChI=1S/C51H27F12N5O4.C17H17NO3/c1-22-4-7-26(16-23(22)2)46(48(52,53)54,49(55,56)57)27-8-11-30-33(19-27)44(71)67-38-17-24(5-14-36(38)64-40(30)67)25-6-15-37-39(18-25)68-41(65-37)31-12-9-28(20-34(31)45(68)72)47(50(58,59)60,51(61,62)63)29-10-13-32-35(21-29)43(70)66(3)42(32)69;1-12-4-8-16(9-5-12)21-17-10-6-15(7-11-17)18(13(2)19)14(3)20/h4-21H,1-3H3;4-10,15H,1-3H3
• InChIKey: UXEJPLBRKJOHEF-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 153.77 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.11
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 161218425) is N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is CC(=O)N(C(C)=O)C1C=C=C(Oc2ccc(C)cc2)C=C1.Cc1ccc(C(c2ccc3c(c2)C(=O)n2c-3nc3ccc(-c4ccc5nc6n(c5c4)C(=O)c4cc(C(c5ccc7c(c5)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)ccc4-6)cc32)(C(F)(F)F)C(F)(F)F)cc1C.

What is the InChIKey of N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The InChIKey is UXEJPLBRKJOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27F12N5O4.C17H17NO3/c1-22-4-7-26(16-23(22)2)46(48(52,53)54,49(55,56)57)27-8-11-30-33(19-27)44(71)67-38-17-24(5-14-36(38)64-40(30)67)25-6-15-37-39(18-25)68-41(65-37)31-12-9-28(20-34(31)45(68)72)47(50(58,59)60,51(61,62)63)29-10-13-32-35(21-29)43(70)66(3)42(32)69;1-12-4-8-16(9-5-12)21-17-10-6-15(7-11-17)18(13(2)19)14(3)20/h4-21H,1-3H3;4-10,15H,1-3H3.

What are the key properties of N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1285.11 g/mol, XLogP of 14.80, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-[4-(4-methylphenoxy)cyclohexa-2,3,5-trien-1-yl]acetamide;5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 161218425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).