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

C22H24Cl2N4O2 — CID 71460565

IUPACN-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H24Cl2N4O2/c1-14-10-17-19(12-18(14)24)25-21(30)22(17,15-4-3-5-16(23)11-15)26-20(29)13-28-8-6-27(2)7-9-28/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyTWJDWMZRRQWJFK-UHFFFAOYSA-N
MW447.37 g/mol
LogP2.86
Rot. Bonds4

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

N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 71460565) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID71460565
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC NameN-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H24Cl2N4O2/c1-14-10-17-19(12-18(14)24)25-21(30)22(17,15-4-3-5-16(23)11-15)26-20(29)13-28-8-6-27(2)7-9-28/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyTWJDWMZRRQWJFK-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

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 71460565) is N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is TWJDWMZRRQWJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-14-10-17-19(12-18(14)24)25-21(30)22(17,15-4-3-5-16(23)11-15)26-20(29)13-28-8-6-27(2)7-9-28/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-chloro-3-(3-chlorophenyl)-5-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-[6-chloro-3-(3-chlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71460565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).