4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide

C18H21FN2O3 — CID 157398278

IUPAC4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide
SMILESCCC(=O)CCCc1c(C(=O)NC)[nH]c2cc(F)c3c(c12)CCO3
InChIInChI=1S/C18H21FN2O3/c1-3-10(22)5-4-6-11-15-12-7-8-24-17(12)13(19)9-14(15)21-16(11)18(23)20-2/h9,21H,3-8H2,1-2H3,(H,20,23)
InChIKeyBMVLTJQXONDXPV-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.90
Rot. Bonds6

About 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide

4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide (PubChem CID 157398278) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide
PubChem CID157398278
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide
SMILESCCC(=O)CCCc1c(C(=O)NC)[nH]c2cc(F)c3c(c12)CCO3
InChIInChI=1S/C18H21FN2O3/c1-3-10(22)5-4-6-11-15-12-7-8-24-17(12)13(19)9-14(15)21-16(11)18(23)20-2/h9,21H,3-8H2,1-2H3,(H,20,23)
InChIKeyBMVLTJQXONDXPV-UHFFFAOYSA-N
XLogP2.90
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide (CID 157398278) is 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide is CCC(=O)CCCc1c(C(=O)NC)[nH]c2cc(F)c3c(c12)CCO3.
What is the InChIKey of 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide?
The InChIKey is BMVLTJQXONDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-3-10(22)5-4-6-11-15-12-7-8-24-17(12)13(19)9-14(15)21-16(11)18(23)20-2/h9,21H,3-8H2,1-2H3,(H,20,23).
What are the key properties of 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide?
4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-8-(4-oxohexyl)-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxamide is sourced from PubChem (CID 157398278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).