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

C21H22Cl2N4O2 — CID 71455105

IUPACN-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H22Cl2N4O2/c1-26-8-10-27(11-9-26)13-19(28)25-21(14-2-4-15(22)5-3-14)17-7-6-16(23)12-18(17)24-20(21)29/h2-7,12H,8-11,13H2,1H3,(H,24,29)(H,25,28)
InChIKeyUVEJEVSQFOAZAP-UHFFFAOYSA-N
MW433.34 g/mol
LogP2.55
Rot. Bonds4

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

N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 71455105) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID71455105
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC NameN-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H22Cl2N4O2/c1-26-8-10-27(11-9-26)13-19(28)25-21(14-2-4-15(22)5-3-14)17-7-6-16(23)12-18(17)24-20(21)29/h2-7,12H,8-11,13H2,1H3,(H,24,29)(H,25,28)
InChIKeyUVEJEVSQFOAZAP-UHFFFAOYSA-N
XLogP2.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-chloro-3-(4-chlorophenyl)-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-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 71455105) is N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)ccc32)CC1.
What is the InChIKey of N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is UVEJEVSQFOAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c1-26-8-10-27(11-9-26)13-19(28)25-21(14-2-4-15(22)5-3-14)17-7-6-16(23)12-18(17)24-20(21)29/h2-7,12H,8-11,13H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 433.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71455105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).