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

C23H24FNO3 — CID 3366856

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C23H24FNO3/c1-16-14-17-8-2-5-11-20(17)25(16)21(26)15-28-22(27)23(12-6-7-13-23)18-9-3-4-10-19(18)24/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyIJTDGONTXFPHLN-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.16
Rot. Bonds4

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

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 3366856) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID3366856
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C23H24FNO3/c1-16-14-17-8-2-5-11-20(17)25(16)21(26)15-28-22(27)23(12-6-7-13-23)18-9-3-4-10-19(18)24/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyIJTDGONTXFPHLN-UHFFFAOYSA-N
XLogP4.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 3366856) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is CC1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccccc2F)CCCC1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is IJTDGONTXFPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-16-14-17-8-2-5-11-20(17)25(16)21(26)15-28-22(27)23(12-6-7-13-23)18-9-3-4-10-19(18)24/h2-5,8-11,16H,6-7,12-15H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 3366856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).