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

C21H21Cl3N4O2 — CID 25190383

IUPACN-[4,6-dichloro-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)cc(Cl)c32)CC1
InChIInChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-18(29)26-21(13-2-4-14(22)5-3-13)19-16(24)10-15(23)11-17(19)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)
InChIKeyQWXCJLADFZSOQG-UHFFFAOYSA-N
MW467.78 g/mol
LogP3.21
Rot. Bonds4

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

N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 25190383) has the molecular formula C21H21Cl3N4O2 and a molecular weight of 467.78 g/mol. Its IUPAC name is N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID25190383
Molecular FormulaC21H21Cl3N4O2
Molecular Weight467.78 g/mol
Exact Mass466.07
IUPAC NameN-[4,6-dichloro-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)cc(Cl)c32)CC1
InChIInChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-18(29)26-21(13-2-4-14(22)5-3-13)19-16(24)10-15(23)11-17(19)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)
InChIKeyQWXCJLADFZSOQG-UHFFFAOYSA-N
XLogP3.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 25190383) is N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4,6-dichloro-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)cc(Cl)c32)CC1.
What is the InChIKey of N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QWXCJLADFZSOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-18(29)26-21(13-2-4-14(22)5-3-13)19-16(24)10-15(23)11-17(19)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 467.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 25190383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).