8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide

C23H23FN2O3 — CID 118398830

IUPAC8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
SMILESCCc1c[nH]c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C23H23FN2O3/c1-5-13-11-26-20-17(28-12(2)3)10-16-19(23(27)25-4)21(29-22(16)18(13)20)14-6-8-15(24)9-7-14/h6-12,26H,5H2,1-4H3,(H,25,27)
InChIKeyKSUMNVAQMGDCTN-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.43
Rot. Bonds5

About 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[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 (PubChem CID 118398830) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
PubChem CID118398830
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
SMILESCCc1c[nH]c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C23H23FN2O3/c1-5-13-11-26-20-17(28-12(2)3)10-16-19(23(27)25-4)21(29-22(16)18(13)20)14-6-8-15(24)9-7-14/h6-12,26H,5H2,1-4H3,(H,25,27)
InChIKeyKSUMNVAQMGDCTN-UHFFFAOYSA-N
XLogP5.43
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide (CID 118398830) is 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide is CCc1c[nH]c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12.
What is the InChIKey of 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The InChIKey is KSUMNVAQMGDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-5-13-11-26-20-17(28-12(2)3)10-16-19(23(27)25-4)21(29-22(16)18(13)20)14-6-8-15(24)9-7-14/h6-12,26H,5H2,1-4H3,(H,25,27).
What are the key properties of 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[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 has a molecular weight of 394.45 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118398830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).