5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide

C60H47F9N6O7 — CID 123488008

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 123488008) has the molecular formula C60H47F9N6O7 and a molecular weight of 1135.05 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
• PubChem CID: 123488008
• Molecular Formula: C60H47F9N6O7
• Molecular Weight: 1135.05 g/mol
• Exact Mass: 1134.34
• IUPAC Name: 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1ccc(OCCc3cc4c([nH]3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc3c(C(=O)NC)c(-c5ccc(F)cc5)oc34)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c1)c1[nH]ccc12
• InChI: InChI=1S/C60H47F9N6O7/c1-57(2,3)75-53(76)33-8-6-7-31(23-33)39-27-42-46(56(79)71-5)50(30-11-16-35(62)17-12-30)82-52(42)43-25-36(74-48(39)43)20-22-80-44-18-13-32(24-40(44)54(77)73-28-58(63,64)59(65,66)60(67,68)69)38-26-41-45(55(78)70-4)49(29-9-14-34(61)15-10-29)81-51(41)37-19-21-72-47(37)38/h6-19,21,23-27,72,74H,20,22,28H2,1-5H3,(H,70,78)(H,71,79)(H,73,77)(H,75,76)
• InChIKey: SUDJMBHAWJVIEA-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 183.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.05
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?

The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide (CID 123488008) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide.

What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?

The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1ccc(OCCc3cc4c([nH]3)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc3c(C(=O)NC)c(-c5ccc(F)cc5)oc34)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c1)c1[nH]ccc12.

What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?

The InChIKey is SUDJMBHAWJVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47F9N6O7/c1-57(2,3)75-53(76)33-8-6-7-31(23-33)39-27-42-46(56(79)71-5)50(30-11-16-35(62)17-12-30)82-52(42)43-25-36(74-48(39)43)20-22-80-44-18-13-32(24-40(44)54(77)73-28-58(63,64)59(65,66)60(67,68)69)38-26-41-45(55(78)70-4)49(29-9-14-34(61)15-10-29)81-51(41)37-19-21-72-47(37)38/h6-19,21,23-27,72,74H,20,22,28H2,1-5H3,(H,70,78)(H,71,79)(H,73,77)(H,75,76).

What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 1135.05 g/mol, XLogP of 13.52, 15 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 123488008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).