[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium

C20H18Cl2N3O2+ — CID 7647708

IUPAC[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
SMILESO=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2/c21-13-7-14(22)9-15(8-13)25-19(26)10-18(20(25)27)23-6-5-12-11-24-17-4-2-1-3-16(12)17/h1-4,7-9,11,18,23-24H,5-6,10H2/p+1/t18-/m1/s1
InChIKeyCUUXDDIYBCFWPA-GOSISDBHSA-O
MW403.29 g/mol
LogP2.91
Rot. Bonds5

About [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium

[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium (PubChem CID 7647708) has the molecular formula C20H18Cl2N3O2+ and a molecular weight of 403.29 g/mol. Its IUPAC name is [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
PubChem CID7647708
Molecular FormulaC20H18Cl2N3O2+
Molecular Weight403.29 g/mol
Exact Mass402.08
IUPAC Name[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
SMILESO=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2/c21-13-7-14(22)9-15(8-13)25-19(26)10-18(20(25)27)23-6-5-12-11-24-17-4-2-1-3-16(12)17/h1-4,7-9,11,18,23-24H,5-6,10H2/p+1/t18-/m1/s1
InChIKeyCUUXDDIYBCFWPA-GOSISDBHSA-O
XLogP2.91
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7678359
[(3S)-1-(2-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 9350242
(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709
2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7309107
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
(3R)-1-(3-chloro-4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7357869
[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 7453507
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4184953
cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 6935303
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23886885
(3S)-1-(2-chloro-4-methylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350243

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium (CID 7647708) is [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium is O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium?
The InChIKey is CUUXDDIYBCFWPA-GOSISDBHSA-O. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-13-7-14(22)9-15(8-13)25-19(26)10-18(20(25)27)23-6-5-12-11-24-17-4-2-1-3-16(12)17/h1-4,7-9,11,18,23-24H,5-6,10H2/p+1/t18-/m1/s1.
What are the key properties of [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium?
[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium has a molecular weight of 403.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 7647708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).