5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one

C21H23Cl2N3O — CID 19076583

IUPAC5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(NCCN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C21H23Cl2N3O/c22-15-8-9-19-17(14-15)21(20(27)25-19,16-6-2-3-7-18(16)23)24-10-13-26-11-4-1-5-12-26/h2-3,6-9,14,24H,1,4-5,10-13H2,(H,25,27)
InChIKeyVPTUFWCTHVZQSV-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.26
Rot. Bonds5

About 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one

5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one (PubChem CID 19076583) has the molecular formula C21H23Cl2N3O and a molecular weight of 404.34 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one
PubChem CID19076583
Molecular FormulaC21H23Cl2N3O
Molecular Weight404.34 g/mol
Exact Mass403.12
IUPAC Name5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(NCCN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C21H23Cl2N3O/c22-15-8-9-19-17(14-15)21(20(27)25-19,16-6-2-3-7-18(16)23)24-10-13-26-11-4-1-5-12-26/h2-3,6-9,14,24H,1,4-5,10-13H2,(H,25,27)
InChIKeyVPTUFWCTHVZQSV-UHFFFAOYSA-N
XLogP4.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one (CID 19076583) is 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1(NCCN1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one?
The InChIKey is VPTUFWCTHVZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O/c22-15-8-9-19-17(14-15)21(20(27)25-19,16-6-2-3-7-18(16)23)24-10-13-26-11-4-1-5-12-26/h2-3,6-9,14,24H,1,4-5,10-13H2,(H,25,27).
What are the key properties of 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one?
5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one has a molecular weight of 404.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one is sourced from PubChem (CID 19076583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).