5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide

C61H53F9N6O7 — CID 144928424

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
SMILESCC.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1ccc(OC)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC(C)(C)C)c1)c1[nH]ccc12
InChIInChI=1S/C30H21F8N3O4.C29H26FN3O3.C2H6/c1-39-27(43)22-20-12-18(23-17(9-10-40-23)25(20)45-24(22)14-3-6-16(31)7-4-14)15-5-8-21(44-2)19(11-15)26(42)41-13-28(32,33)29(34,35)30(36,37)38;1-29(2,3)33-27(34)18-7-5-6-17(14-18)21-15-22-23(28(35)31-4)25(16-8-10-19(30)11-9-16)36-26(22)20-12-13-32-24(20)21;1-2/h3-12,40H,13H2,1-2H3,(H,39,43)(H,41,42);5-15,32H,1-4H3,(H,31,35)(H,33,34);1-2H3
InChIKeyANGUTVHMGDXYFT-UHFFFAOYSA-N
MW1153.11 g/mol
LogP14.62
Rot. Bonds12

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 144928424) has the molecular formula C61H53F9N6O7 and a molecular weight of 1153.11 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
PubChem CID144928424
Molecular FormulaC61H53F9N6O7
Molecular Weight1153.11 g/mol
Exact Mass1152.38
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
SMILESCC.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1ccc(OC)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC(C)(C)C)c1)c1[nH]ccc12
InChIInChI=1S/C30H21F8N3O4.C29H26FN3O3.C2H6/c1-39-27(43)22-20-12-18(23-17(9-10-40-23)25(20)45-24(22)14-3-6-16(31)7-4-14)15-5-8-21(44-2)19(11-15)26(42)41-13-28(32,33)29(34,35)30(36,37)38;1-29(2,3)33-27(34)18-7-5-6-17(14-18)21-15-22-23(28(35)31-4)25(16-8-10-19(30)11-9-16)36-26(22)20-12-13-32-24(20)21;1-2/h3-12,40H,13H2,1-2H3,(H,39,43)(H,41,42);5-15,32H,1-4H3,(H,31,35)(H,33,34);1-2H3
InChIKeyANGUTVHMGDXYFT-UHFFFAOYSA-N
XLogP14.62
TPSA183.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.11
LogP ≤ 514.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide with MolForge

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Related Compounds

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5-(15-fluoro-8-oxa-6,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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5-(10,10-difluoro-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13,15,17-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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CID 71543582

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide (CID 144928424) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide is CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1ccc(OC)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC(C)(C)C)c1)c1[nH]ccc12.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
The InChIKey is ANGUTVHMGDXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F8N3O4.C29H26FN3O3.C2H6/c1-39-27(43)22-20-12-18(23-17(9-10-40-23)25(20)45-24(22)14-3-6-16(31)7-4-14)15-5-8-21(44-2)19(11-15)26(42)41-13-28(32,33)29(34,35)30(36,37)38;1-29(2,3)33-27(34)18-7-5-6-17(14-18)21-15-22-23(28(35)31-4)25(16-8-10-19(30)11-9-16)36-26(22)20-12-13-32-24(20)21;1-2/h3-12,40H,13H2,1-2H3,(H,39,43)(H,41,42);5-15,32H,1-4H3,(H,31,35)(H,33,34);1-2H3.
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 1153.11 g/mol, XLogP of 14.62, 12 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)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 144928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).