6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one

C19H18Cl2N2O2 — CID 24950918

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C19H18Cl2N2O2/c20-13-3-1-2-12(8-13)10-19(23-7-6-15(24)11-23)16-5-4-14(21)9-17(16)22-18(19)25/h1-5,8-9,15,24H,6-7,10-11H2,(H,22,25)
InChIKeyPUUVLPUQYVDEPJ-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one (PubChem CID 24950918) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
PubChem CID24950918
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C19H18Cl2N2O2/c20-13-3-1-2-12(8-13)10-19(23-7-6-15(24)11-23)16-5-4-14(21)9-17(16)22-18(19)25/h1-5,8-9,15,24H,6-7,10-11H2,(H,22,25)
InChIKeyPUUVLPUQYVDEPJ-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-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

Related Compounds

2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-4-yl]amino]-N-cyclobutylacetamide
CID 68565549
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
CID 68567017
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916
6-chloro-3-(7-chloro-2,3,3a,7a-tetrahydroindol-1-yl)-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 70303789
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid
CID 141199707
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate
CID 68561790
6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one
CID 24951077
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide
CID 59703592
(4-acetylpiperazin-1-yl) N-[1-[(3S)-6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-2-yl]carbamate
CID 68564259
6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one
CID 66991680
6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
CID 11998151
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cycloheptylamino]acetic acid
CID 57479159

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one (CID 24950918) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N1CCC(O)C1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one?
The InChIKey is PUUVLPUQYVDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-13-3-1-2-12(8-13)10-19(23-7-6-15(24)11-23)16-5-4-14(21)9-17(16)22-18(19)25/h1-5,8-9,15,24H,6-7,10-11H2,(H,22,25).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one has a molecular weight of 377.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 24950918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).