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

C22H23Cl3N4O2 — CID 71456910

IUPACN-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C22H23Cl3N4O2/c1-2-28-7-9-29(10-8-28)13-20(30)27-22(14-3-5-15(23)6-4-14)16-11-17(24)18(25)12-19(16)26-21(22)31/h3-6,11-12H,2,7-10,13H2,1H3,(H,26,31)(H,27,30)
InChIKeyRXIJXXRJSNUVDQ-UHFFFAOYSA-N
MW481.81 g/mol
LogP3.60
Rot. Bonds5

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

N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 71456910) has the molecular formula C22H23Cl3N4O2 and a molecular weight of 481.81 g/mol. Its IUPAC name is N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID71456910
Molecular FormulaC22H23Cl3N4O2
Molecular Weight481.81 g/mol
Exact Mass480.09
IUPAC NameN-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C22H23Cl3N4O2/c1-2-28-7-9-29(10-8-28)13-20(30)27-22(14-3-5-15(23)6-4-14)16-11-17(24)18(25)12-19(16)26-21(22)31/h3-6,11-12H,2,7-10,13H2,1H3,(H,26,31)(H,27,30)
InChIKeyRXIJXXRJSNUVDQ-UHFFFAOYSA-N
XLogP3.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.81
LogP ≤ 53.60
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-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 71456910) is N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1.
What is the InChIKey of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is RXIJXXRJSNUVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N4O2/c1-2-28-7-9-29(10-8-28)13-20(30)27-22(14-3-5-15(23)6-4-14)16-11-17(24)18(25)12-19(16)26-21(22)31/h3-6,11-12H,2,7-10,13H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 481.81 g/mol, XLogP of 3.60, 5 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-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71456910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).