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

C22H23Cl3N4O2 — CID 71449740

IUPACN-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H23Cl3N4O2/c1-13-9-15-19(11-17(13)24)26-21(31)22(15,14-3-4-16(23)18(25)10-14)27-20(30)12-29-7-5-28(2)6-8-29/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyURCLPMINPINWRM-UHFFFAOYSA-N
MW481.81 g/mol
LogP3.51
Rot. Bonds4

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

N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 71449740) has the molecular formula C22H23Cl3N4O2 and a molecular weight of 481.81 g/mol. Its IUPAC name is N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID71449740
Molecular FormulaC22H23Cl3N4O2
Molecular Weight481.81 g/mol
Exact Mass480.09
IUPAC NameN-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H23Cl3N4O2/c1-13-9-15-19(11-17(13)24)26-21(31)22(15,14-3-4-16(23)18(25)10-14)27-20(30)12-29-7-5-28(2)6-8-29/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyURCLPMINPINWRM-UHFFFAOYSA-N
XLogP3.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.81
LogP ≤ 53.51
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-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 71449740) is N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-chloro-3-(3,4-dichlorophenyl)-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)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is URCLPMINPINWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N4O2/c1-13-9-15-19(11-17(13)24)26-21(31)22(15,14-3-4-16(23)18(25)10-14)27-20(30)12-29-7-5-28(2)6-8-29/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-chloro-3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 481.81 g/mol, XLogP of 3.51, 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-(3,4-dichlorophenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71449740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).