[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate

C17H14FNO3 — CID 2627927

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3/c18-14-7-5-13(6-8-14)17(21)22-11-16(20)19-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2
InChIKeyDBFNVCWLEFFNNP-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.57
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2627927) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2627927
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3/c18-14-7-5-13(6-8-14)17(21)22-11-16(20)19-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2
InChIKeyDBFNVCWLEFFNNP-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate (CID 2627927) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate is O=C(OCC(=O)N1CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is DBFNVCWLEFFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-7-5-13(6-8-14)17(21)22-11-16(20)19-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 299.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2627927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).