5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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

C62H55F9N6O7 — CID 144928426

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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]c(C)cc12
InChIInChI=1S/C30H21F8N3O4.C30H28FN3O3.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;1-16-13-23-25(33-16)21(18-7-6-8-19(14-18)28(35)34-30(2,3)4)15-22-24(29(36)32-5)26(37-27(22)23)17-9-11-20(31)12-10-17;1-2/h3-12,40H,13H2,1-2H3,(H,39,43)(H,41,42);6-15,33H,1-5H3,(H,32,36)(H,34,35);1-2H3
InChIKeyDCLJJCXSJMBABV-UHFFFAOYSA-N
MW1167.14 g/mol
LogP14.93
Rot. Bonds12

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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,7-dimethyl-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 144928426) has the molecular formula C62H55F9N6O7 and a molecular weight of 1167.14 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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,7-dimethyl-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 CID144928426
Molecular FormulaC62H55F9N6O7
Molecular Weight1167.14 g/mol
Exact Mass1166.40
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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]c(C)cc12
InChIInChI=1S/C30H21F8N3O4.C30H28FN3O3.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;1-16-13-23-25(33-16)21(18-7-6-8-19(14-18)28(35)34-30(2,3)4)15-22-24(29(36)32-5)26(37-27(22)23)17-9-11-20(31)12-10-17;1-2/h3-12,40H,13H2,1-2H3,(H,39,43)(H,41,42);6-15,33H,1-5H3,(H,32,36)(H,34,35);1-2H3
InChIKeyDCLJJCXSJMBABV-UHFFFAOYSA-N
XLogP14.93
TPSA183.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.14
LogP ≤ 514.93
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,7-dimethyl-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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CID 90332545
2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)-5-(6-phenyl-6,11-dihydrochromeno[4,3-b]indol-2-yl)benzofuran-3-carboxamide
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5-(6-tert-butyl-6,11-dihydrochromeno[4,3-b]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)benzofuran-3-carboxamide
CID 71509253
5-(11-fluoro-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
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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,7-dimethyl-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,7-dimethyl-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 144928426) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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,7-dimethyl-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,7-dimethyl-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]c(C)cc12.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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 DCLJJCXSJMBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F8N3O4.C30H28FN3O3.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;1-16-13-23-25(33-16)21(18-7-6-8-19(14-18)28(35)34-30(2,3)4)15-22-24(29(36)32-5)26(37-27(22)23)17-9-11-20(31)12-10-17;1-2/h3-12,40H,13H2,1-2H3,(H,39,43)(H,41,42);6-15,33H,1-5H3,(H,32,36)(H,34,35);1-2H3.
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,7-dimethyl-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,7-dimethyl-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 1167.14 g/mol, XLogP of 14.93, 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,7-dimethyl-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 144928426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).