N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

C22H24Cl2N4O2 — CID 71451564

IUPACN-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc2c(cc1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2
InChIInChI=1S/C22H24Cl2N4O2/c1-14-11-19-17(12-18(14)24)22(21(30)25-19,15-3-5-16(23)6-4-15)26-20(29)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySHOFKFMTIQSOJI-UHFFFAOYSA-N
MW447.37 g/mol
LogP2.86
Rot. Bonds4

About N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 71451564) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID71451564
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC NameN-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc2c(cc1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2
InChIInChI=1S/C22H24Cl2N4O2/c1-14-11-19-17(12-18(14)24)22(21(30)25-19,15-3-5-16(23)6-4-15)26-20(29)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySHOFKFMTIQSOJI-UHFFFAOYSA-N
XLogP2.86
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide 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 N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 71451564) is N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1cc2c(cc1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2.
What is the InChIKey of N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is SHOFKFMTIQSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-14-11-19-17(12-18(14)24)22(21(30)25-19,15-3-5-16(23)6-4-15)26-20(29)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 447.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(4-chlorophenyl)-6-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71451564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).