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

C18H16FNO3 — CID 4877046

IUPAC[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESCC(OC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16FNO3/c1-12(23-18(22)14-7-3-4-8-15(14)19)17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,12H,10-11H2,1H3
InChIKeyBVQOBLGSZXCKHK-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.96
Rot. Bonds3

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

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate (PubChem CID 4877046) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate
PubChem CID4877046
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESCC(OC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16FNO3/c1-12(23-18(22)14-7-3-4-8-15(14)19)17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,12H,10-11H2,1H3
InChIKeyBVQOBLGSZXCKHK-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate (CID 4877046) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate is CC(OC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate?
The InChIKey is BVQOBLGSZXCKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-12(23-18(22)14-7-3-4-8-15(14)19)17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,12H,10-11H2,1H3.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate?
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate has a molecular weight of 313.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-fluorobenzoate is sourced from PubChem (CID 4877046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).