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

C22H22Cl4N4O2 — CID 66601728

IUPACN-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1
InChIInChI=1S/C22H22Cl4N4O2/c1-2-29-5-7-30(8-6-29)12-19(31)28-22(13-3-4-15(24)16(25)9-13)20-17(26)10-14(23)11-18(20)27-21(22)32/h3-4,9-11H,2,5-8,12H2,1H3,(H,27,32)(H,28,31)
InChIKeyCDQNSIHAOJRPEP-UHFFFAOYSA-N
MW516.26 g/mol
LogP4.25
Rot. Bonds5

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

N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 66601728) has the molecular formula C22H22Cl4N4O2 and a molecular weight of 516.26 g/mol. Its IUPAC name is N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID66601728
Molecular FormulaC22H22Cl4N4O2
Molecular Weight516.26 g/mol
Exact Mass514.05
IUPAC NameN-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1
InChIInChI=1S/C22H22Cl4N4O2/c1-2-29-5-7-30(8-6-29)12-19(31)28-22(13-3-4-15(24)16(25)9-13)20-17(26)10-14(23)11-18(20)27-21(22)32/h3-4,9-11H,2,5-8,12H2,1H3,(H,27,32)(H,28,31)
InChIKeyCDQNSIHAOJRPEP-UHFFFAOYSA-N
XLogP4.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.26
LogP ≤ 54.25
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-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 66601728) is N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1.
What is the InChIKey of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is CDQNSIHAOJRPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl4N4O2/c1-2-29-5-7-30(8-6-29)12-19(31)28-22(13-3-4-15(24)16(25)9-13)20-17(26)10-14(23)11-18(20)27-21(22)32/h3-4,9-11H,2,5-8,12H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 516.26 g/mol, XLogP of 4.25, 5 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-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 66601728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).