2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide

C22H19FN2O4 — CID 7178592

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1cccc(F)c1
InChIInChI=1S/C22H19FN2O4/c23-16-5-3-6-17(10-16)24-22(27)14-29-21-13-28-18(11-20(21)26)12-25-9-8-15-4-1-2-7-19(15)25/h1-7,10-11,13H,8-9,12,14H2,(H,24,27)
InChIKeyKNJMZSFQWLFNGP-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.36
Rot. Bonds6

About 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide (PubChem CID 7178592) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
PubChem CID7178592
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1cccc(F)c1
InChIInChI=1S/C22H19FN2O4/c23-16-5-3-6-17(10-16)24-22(27)14-29-21-13-28-18(11-20(21)26)12-25-9-8-15-4-1-2-7-19(15)25/h1-7,10-11,13H,8-9,12,14H2,(H,24,27)
InChIKeyKNJMZSFQWLFNGP-UHFFFAOYSA-N
XLogP3.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide (CID 7178592) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide is O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is KNJMZSFQWLFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c23-16-5-3-6-17(10-16)24-22(27)14-29-21-13-28-18(11-20(21)26)12-25-9-8-15-4-1-2-7-19(15)25/h1-7,10-11,13H,8-9,12,14H2,(H,24,27).
What are the key properties of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 394.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7178592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).