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

C17H14FNO3 — CID 1089228

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccc1F
InChIInChI=1S/C17H14FNO3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11H2
InChIKeyHXJVBPKQLILHPX-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.57
Rot. Bonds3

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 1089228) 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] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
PubChem CID1089228
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccc1F
InChIInChI=1S/C17H14FNO3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11H2
InChIKeyHXJVBPKQLILHPX-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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Related Compounds

7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl 4-fluorobenzoate
CID 2816532
[2-(N-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2335983
[2-(N-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2336020
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2336315
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate
CID 2370481
[2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2371113
[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2380174
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate
CID 4512972
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 4784392
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 6288939
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 16301878

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate (CID 1089228) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate is O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1F.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is HXJVBPKQLILHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-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] 2-fluorobenzoate is sourced from PubChem (CID 1089228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).