5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one

C27H26ClNO3 — CID 2924925

IUPAC5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
SMILESCC(C)c1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C27H26ClNO3/c1-18(2)20-8-10-21(11-9-20)25(30)17-27(32)23-16-22(28)12-13-24(23)29(26(27)31)15-14-19-6-4-3-5-7-19/h3-13,16,18,32H,14-15,17H2,1-2H3
InChIKeyPRZDUIGANZETJU-UHFFFAOYSA-N
MW447.96 g/mol
LogP5.51
Rot. Bonds7

About 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one

5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 2924925) has the molecular formula C27H26ClNO3 and a molecular weight of 447.96 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID2924925
Molecular FormulaC27H26ClNO3
Molecular Weight447.96 g/mol
Exact Mass447.16
IUPAC Name5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
SMILESCC(C)c1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C27H26ClNO3/c1-18(2)20-8-10-21(11-9-20)25(30)17-27(32)23-16-22(28)12-13-24(23)29(26(27)31)15-14-19-6-4-3-5-7-19/h3-13,16,18,32H,14-15,17H2,1-2H3
InChIKeyPRZDUIGANZETJU-UHFFFAOYSA-N
XLogP5.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one 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 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one (CID 2924925) is 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one is CC(C)c1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is PRZDUIGANZETJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClNO3/c1-18(2)20-8-10-21(11-9-20)25(30)17-27(32)23-16-22(28)12-13-24(23)29(26(27)31)15-14-19-6-4-3-5-7-19/h3-13,16,18,32H,14-15,17H2,1-2H3.
What are the key properties of 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one?
5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one has a molecular weight of 447.96 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 2924925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).