2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium

C18H17Cl2N2O2+ — CID 7309107

IUPAC2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
SMILESO=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C18H16Cl2N2O2/c19-13-7-6-12(15(20)10-13)8-9-21-16-11-17(23)22(18(16)24)14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11H2/p+1/t16-/m1/s1
InChIKeyBLWQYVNRQCKEKS-MRXNPFEDSA-O
MW364.25 g/mol
LogP2.43
Rot. Bonds5

About 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium

2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium (PubChem CID 7309107) has the molecular formula C18H17Cl2N2O2+ and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
PubChem CID7309107
Molecular FormulaC18H17Cl2N2O2+
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
SMILESO=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C18H16Cl2N2O2/c19-13-7-6-12(15(20)10-13)8-9-21-16-11-17(23)22(18(16)24)14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11H2/p+1/t16-/m1/s1
InChIKeyBLWQYVNRQCKEKS-MRXNPFEDSA-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'}

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Related Compounds

2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 7453507
(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279544
2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4184953
[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7647708
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
1-(4-chlorophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 2961815
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7678359
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
CID 3302744

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The IUPAC name of 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium (CID 7309107) is 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium.
What is the SMILES notation for 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The canonical SMILES for 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium is O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The InChIKey is BLWQYVNRQCKEKS-MRXNPFEDSA-O. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-13-7-6-12(15(20)10-13)8-9-21-16-11-17(23)22(18(16)24)14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11H2/p+1/t16-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]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 2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium is sourced from PubChem (CID 7309107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).