6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C25H27FN2O3 — CID 118398839

IUPAC6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCc1cn(CC)c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C25H27FN2O3/c1-6-15-13-28(7-2)22-19(30-14(3)4)12-18-21(25(29)27-5)23(31-24(18)20(15)22)16-8-10-17(26)11-9-16/h8-14H,6-7H2,1-5H3,(H,27,29)
InChIKeyZJMDZGHDVQOKGI-UHFFFAOYSA-N
MW422.50 g/mol
LogP5.92
Rot. Bonds6

About 6,8-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 (PubChem CID 118398839) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID118398839
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCc1cn(CC)c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C25H27FN2O3/c1-6-15-13-28(7-2)22-19(30-14(3)4)12-18-21(25(29)27-5)23(31-24(18)20(15)22)16-8-10-17(26)11-9-16/h8-14H,6-7H2,1-5H3,(H,27,29)
InChIKeyZJMDZGHDVQOKGI-UHFFFAOYSA-N
XLogP5.92
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 118398839) is 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CCc1cn(CC)c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12.
What is the InChIKey of 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is ZJMDZGHDVQOKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-6-15-13-28(7-2)22-19(30-14(3)4)12-18-21(25(29)27-5)23(31-24(18)20(15)22)16-8-10-17(26)11-9-16/h8-14H,6-7H2,1-5H3,(H,27,29).
What are the key properties of 6,8-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 has a molecular weight of 422.50 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118398839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).