[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C22H22FNO3 — CID 2371761

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCc2ccccc21
InChIInChI=1S/C22H22FNO3/c23-18-9-3-2-8-17(18)22(12-5-6-13-22)21(26)27-15-20(25)24-14-11-16-7-1-4-10-19(16)24/h1-4,7-10H,5-6,11-15H2
InChIKeyQZCYQLFCGDJCRH-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.77
Rot. Bonds4

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2371761) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2371761
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCc2ccccc21
InChIInChI=1S/C22H22FNO3/c23-18-9-3-2-8-17(18)22(12-5-6-13-22)21(26)27-15-20(25)24-14-11-16-7-1-4-10-19(16)24/h1-4,7-10H,5-6,11-15H2
InChIKeyQZCYQLFCGDJCRH-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxo-3-indolinecarboxylate
CID 23723129
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 2621380
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 3366856
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 4283568
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 24686584
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2335220
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353394
[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2345690

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2371761) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QZCYQLFCGDJCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-18-9-3-2-8-17(18)22(12-5-6-13-22)21(26)27-15-20(25)24-14-11-16-7-1-4-10-19(16)24/h1-4,7-10H,5-6,11-15H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 3.77, 4 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] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2371761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).