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

C23H23FN2O3 — CID 118398829

IUPAC6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(OC(C)C)c21
InChIInChI=1S/C23H23FN2O3/c1-5-26-11-10-16-20(26)18(28-13(2)3)12-17-19(23(27)25-4)21(29-22(16)17)14-6-8-15(24)9-7-14/h6-13H,5H2,1-4H3,(H,25,27)
InChIKeySAJFXFYMZRENDL-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.36
Rot. Bonds5

About 6-ethyl-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 (PubChem CID 118398829) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID118398829
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(OC(C)C)c21
InChIInChI=1S/C23H23FN2O3/c1-5-26-11-10-16-20(26)18(28-13(2)3)12-17-19(23(27)25-4)21(29-22(16)17)14-6-8-15(24)9-7-14/h6-13H,5H2,1-4H3,(H,25,27)
InChIKeySAJFXFYMZRENDL-UHFFFAOYSA-N
XLogP5.36
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 118398829) is 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(OC(C)C)c21.
What is the InChIKey of 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is SAJFXFYMZRENDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-5-26-11-10-16-20(26)18(28-13(2)3)12-17-19(23(27)25-4)21(29-22(16)17)14-6-8-15(24)9-7-14/h6-13H,5H2,1-4H3,(H,25,27).
What are the key properties of 6-ethyl-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 has a molecular weight of 394.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118398829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).