5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane

C114H105Cl3F3N7O9 — CID 158834437

IUPAC5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane
SMILESC.CCN(CC(C)(C)c1ccc(Cl)cc1)C(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c3ccn(CC)c23)c1.CCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(-c3cccc(C(=O)CCC(C)(C)c4ccc(Cl)cc4)c3)c21.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)CCC(C)(C)c3ccc(Cl)cc3)c1)c1[nH]ccc12
InChIInChI=1S/C39H37ClFN3O3.C38H34ClFN2O3.C36H30ClFN2O3.CH4/c1-6-43-20-19-30-34(43)31(22-32-33(37(45)42-5)35(47-36(30)32)24-11-17-29(41)18-12-24)25-9-8-10-26(21-25)38(46)44(7-2)23-39(3,4)27-13-15-28(40)16-14-27;1-5-42-20-18-29-34(42)30(22-31-33(37(44)41-4)35(45-36(29)31)23-9-15-28(40)16-10-23)24-7-6-8-25(21-24)32(43)17-19-38(2,3)26-11-13-27(39)14-12-26;1-36(2,24-9-11-25(37)12-10-24)17-15-30(41)23-6-4-5-22(19-23)28-20-29-31(35(42)39-3)33(21-7-13-26(38)14-8-21)43-34(29)27-16-18-40-32(27)28;/h8-22H,6-7,23H2,1-5H3,(H,42,45);6-16,18,20-22H,5,17,19H2,1-4H3,(H,41,44);4-14,16,18-20,40H,15,17H2,1-3H3,(H,39,42);1H4
InChIKeyIXLKWCCVEOBONU-UHFFFAOYSA-N
MW1880.49 g/mol
LogP29.14
Rot. Bonds26

About 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane

5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane (PubChem CID 158834437) has the molecular formula C114H105Cl3F3N7O9 and a molecular weight of 1880.49 g/mol. Its IUPAC name is 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane.

Molecular Properties

Compound Name5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane
PubChem CID158834437
Molecular FormulaC114H105Cl3F3N7O9
Molecular Weight1880.49 g/mol
Exact Mass1877.70
IUPAC Name5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane
SMILESC.CCN(CC(C)(C)c1ccc(Cl)cc1)C(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c3ccn(CC)c23)c1.CCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(-c3cccc(C(=O)CCC(C)(C)c4ccc(Cl)cc4)c3)c21.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)CCC(C)(C)c3ccc(Cl)cc3)c1)c1[nH]ccc12
InChIInChI=1S/C39H37ClFN3O3.C38H34ClFN2O3.C36H30ClFN2O3.CH4/c1-6-43-20-19-30-34(43)31(22-32-33(37(45)42-5)35(47-36(30)32)24-11-17-29(41)18-12-24)25-9-8-10-26(21-25)38(46)44(7-2)23-39(3,4)27-13-15-28(40)16-14-27;1-5-42-20-18-29-34(42)30(22-31-33(37(44)41-4)35(45-36(29)31)23-9-15-28(40)16-10-23)24-7-6-8-25(21-24)32(43)17-19-38(2,3)26-11-13-27(39)14-12-26;1-36(2,24-9-11-25(37)12-10-24)17-15-30(41)23-6-4-5-22(19-23)28-20-29-31(35(42)39-3)33(21-7-13-26(38)14-8-21)43-34(29)27-16-18-40-32(27)28;/h8-22H,6-7,23H2,1-5H3,(H,42,45);6-16,18,20-22H,5,17,19H2,1-4H3,(H,41,44);4-14,16,18-20,40H,15,17H2,1-3H3,(H,39,42);1H4
InChIKeyIXLKWCCVEOBONU-UHFFFAOYSA-N
XLogP29.14
TPSA206.82 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.49
LogP ≤ 529.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane with MolForge

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Related Compounds

tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
CID 118384359
5-[3-[2,2-dimethylpropyl(ethyl)carbamoyl]phenyl]-6-ethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-N-methylfuro[2,3-e]indole-3-carboxamide
CID 135267636
5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide
CID 144928413
N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 159574392
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,8-dimethyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
CID 118398795
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide
CID 135267893
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-methylsulfanylfuro[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-N-methyl-6-methylsulfanyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 144928419
2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 160732128
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide
CID 135267584
5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 159811252
5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 129090697
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[(3E)-hexa-1,3,5-trien-3-yl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 144928435

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane?
The IUPAC name of 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane (CID 158834437) is 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane.
What is the SMILES notation for 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane?
The canonical SMILES for 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane is C.CCN(CC(C)(C)c1ccc(Cl)cc1)C(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c3ccn(CC)c23)c1.CCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(-c3cccc(C(=O)CCC(C)(C)c4ccc(Cl)cc4)c3)c21.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)CCC(C)(C)c3ccc(Cl)cc3)c1)c1[nH]ccc12.
What is the InChIKey of 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane?
The InChIKey is IXLKWCCVEOBONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37ClFN3O3.C38H34ClFN2O3.C36H30ClFN2O3.CH4/c1-6-43-20-19-30-34(43)31(22-32-33(37(45)42-5)35(47-36(30)32)24-11-17-29(41)18-12-24)25-9-8-10-26(21-25)38(46)44(7-2)23-39(3,4)27-13-15-28(40)16-14-27;1-5-42-20-18-29-34(42)30(22-31-33(37(44)41-4)35(45-36(29)31)23-9-15-28(40)16-10-23)24-7-6-8-25(21-24)32(43)17-19-38(2,3)26-11-13-27(39)14-12-26;1-36(2,24-9-11-25(37)12-10-24)17-15-30(41)23-6-4-5-22(19-23)28-20-29-31(35(42)39-3)33(21-7-13-26(38)14-8-21)43-34(29)27-16-18-40-32(27)28;/h8-22H,6-7,23H2,1-5H3,(H,42,45);6-16,18,20-22H,5,17,19H2,1-4H3,(H,41,44);4-14,16,18-20,40H,15,17H2,1-3H3,(H,39,42);1H4.
What are the key properties of 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane?
5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane has a molecular weight of 1880.49 g/mol, XLogP of 29.14, 26 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane is sourced from PubChem (CID 158834437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).