N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide

C21H23Cl3N4O2 — CID 71449752

IUPACN-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide
SMILESCN(C)CCN(C)CC(=O)NC1(c2ccc(Cl)cc2)C(=O)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C21H23Cl3N4O2/c1-27(2)8-9-28(3)12-19(29)26-21(13-4-6-14(22)7-5-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h4-7,10-11H,8-9,12H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyCGLGARPXJYLEAR-UHFFFAOYSA-N
MW469.80 g/mol
LogP3.45
Rot. Bonds7

About N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide

N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide (PubChem CID 71449752) has the molecular formula C21H23Cl3N4O2 and a molecular weight of 469.80 g/mol. Its IUPAC name is N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide
PubChem CID71449752
Molecular FormulaC21H23Cl3N4O2
Molecular Weight469.80 g/mol
Exact Mass468.09
IUPAC NameN-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide
SMILESCN(C)CCN(C)CC(=O)NC1(c2ccc(Cl)cc2)C(=O)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C21H23Cl3N4O2/c1-27(2)8-9-28(3)12-19(29)26-21(13-4-6-14(22)7-5-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h4-7,10-11H,8-9,12H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyCGLGARPXJYLEAR-UHFFFAOYSA-N
XLogP3.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.80
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
The IUPAC name of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide (CID 71449752) is N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
The canonical SMILES for N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide is CN(C)CCN(C)CC(=O)NC1(c2ccc(Cl)cc2)C(=O)Nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
The InChIKey is CGLGARPXJYLEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N4O2/c1-27(2)8-9-28(3)12-19(29)26-21(13-4-6-14(22)7-5-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h4-7,10-11H,8-9,12H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide has a molecular weight of 469.80 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide is sourced from PubChem (CID 71449752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).