5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide

C29H28FN3O3 — CID 135267584

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c3c(c(-c4cccc(C(=O)NC(C)(C)C)c4)cc12)NCC3
InChIInChI=1S/C29H28FN3O3/c1-29(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/h5-11,14-15,32H,12-13H2,1-4H3,(H,31,35)(H,33,34)
InChIKeyZZHHUHPWINWPBR-UHFFFAOYSA-N
MW485.56 g/mol
LogP5.76
Rot. Bonds4

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 135267584) has the molecular formula C29H28FN3O3 and a molecular weight of 485.56 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide
PubChem CID135267584
Molecular FormulaC29H28FN3O3
Molecular Weight485.56 g/mol
Exact Mass485.21
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c3c(c(-c4cccc(C(=O)NC(C)(C)C)c4)cc12)NCC3
InChIInChI=1S/C29H28FN3O3/c1-29(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/h5-11,14-15,32H,12-13H2,1-4H3,(H,31,35)(H,33,34)
InChIKeyZZHHUHPWINWPBR-UHFFFAOYSA-N
XLogP5.76
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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,8-dimethyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
CID 118398795
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
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;pyrrolidine
CID 162107160
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
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;2,2,2-trifluoroethanol
CID 161200005
tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
CID 118384359
19-N-tert-butyl-6-(4-fluorophenyl)-5-N-methyl-12,15-dioxo-7-oxa-11,16-diazatetracyclo[15.3.1.02,10.04,8]henicosa-1(20),2(10),3,5,8,17(21),18-heptaene-5,19-dicarboxamide
CID 118548871
[5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-hydroxyazanium
CID 145142073
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;3-methylphenol
CID 157390613
6-chloro-5-[3-[[1,3-difluoro-2-(fluoromethyl)propan-2-yl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 118896101
5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 144928379

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide (CID 135267584) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c3c(c(-c4cccc(C(=O)NC(C)(C)C)c4)cc12)NCC3.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide?
The InChIKey is ZZHHUHPWINWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O3/c1-29(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/h5-11,14-15,32H,12-13H2,1-4H3,(H,31,35)(H,33,34).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 5.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 135267584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).