[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium

C18H17Cl2N2O2+ — CID 7453507

IUPAC[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
SMILESO=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-6-13(10-15(14)20)22-17(23)11-16(18(22)24)21-9-8-12-4-2-1-3-5-12/h1-7,10,16,21H,8-9,11H2/p+1/t16-/m0/s1
InChIKeyKOMSPYIIJRSARA-INIZCTEOSA-O
MW364.25 g/mol
LogP2.43
Rot. Bonds5

About [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium

[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium (PubChem CID 7453507) has the molecular formula C18H17Cl2N2O2+ and a molecular weight of 364.25 g/mol. Its IUPAC name is [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
PubChem CID7453507
Molecular FormulaC18H17Cl2N2O2+
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
SMILESO=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-6-13(10-15(14)20)22-17(23)11-16(18(22)24)21-9-8-12-4-2-1-3-5-12/h1-7,10,16,21H,8-9,11H2/p+1/t16-/m0/s1
InChIKeyKOMSPYIIJRSARA-INIZCTEOSA-O
XLogP2.43
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7309107
[(3R)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6959898
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
3-(4-benzylpiperazine-1,4-diium-1-yl)propyl-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7291800

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
The IUPAC name of [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium (CID 7453507) is [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium.
What is the SMILES notation for [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
The canonical SMILES for [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium is O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
The InChIKey is KOMSPYIIJRSARA-INIZCTEOSA-O. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-7-6-13(10-15(14)20)22-17(23)11-16(18(22)24)21-9-8-12-4-2-1-3-5-12/h1-7,10,16,21H,8-9,11H2/p+1/t16-/m0/s1.
What are the key properties of [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium has a molecular weight of 364.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium is sourced from PubChem (CID 7453507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).