[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C22H22ClNO3 — CID 2353394

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCc2ccccc21
InChIInChI=1S/C22H22ClNO3/c23-18-9-7-17(8-10-18)22(12-3-4-13-22)21(26)27-15-20(25)24-14-11-16-5-1-2-6-19(16)24/h1-2,5-10H,3-4,11-15H2
InChIKeyMTZDFKXWZVYSPK-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.28
Rot. Bonds4

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 2353394) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID2353394
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCc2ccccc21
InChIInChI=1S/C22H22ClNO3/c23-18-9-7-17(8-10-18)22(12-3-4-13-22)21(26)27-15-20(25)24-14-11-16-5-1-2-6-19(16)24/h1-2,5-10H,3-4,11-15H2
InChIKeyMTZDFKXWZVYSPK-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)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-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 2353394) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is MTZDFKXWZVYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-18-9-7-17(8-10-18)22(12-3-4-13-22)21(26)27-15-20(25)24-14-11-16-5-1-2-6-19(16)24/h1-2,5-10H,3-4,11-15H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 383.88 g/mol, XLogP of 4.28, 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-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2353394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).