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

C21H21Cl3N4O2 — CID 71453404

IUPACN-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-19(29)26-21(13-2-4-14(22)5-3-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)/t21-/m0/s1
InChIKeyFOCFHCJIDLTWDC-NRFANRHFSA-N
MW467.78 g/mol
LogP3.21
Rot. Bonds4

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

N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 71453404) has the molecular formula C21H21Cl3N4O2 and a molecular weight of 467.78 g/mol. Its IUPAC name is N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID71453404
Molecular FormulaC21H21Cl3N4O2
Molecular Weight467.78 g/mol
Exact Mass466.07
IUPAC NameN-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-19(29)26-21(13-2-4-14(22)5-3-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)/t21-/m0/s1
InChIKeyFOCFHCJIDLTWDC-NRFANRHFSA-N
XLogP3.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 71453404) is N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1.
What is the InChIKey of N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is FOCFHCJIDLTWDC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-19(29)26-21(13-2-4-14(22)5-3-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 467.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71453404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).