[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium

C19H20ClN2O4+ — CID 7317627

IUPAC[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-25-16-8-3-12(9-17(16)26-2)11-21-15-10-18(23)22(19(15)24)14-6-4-13(20)5-7-14/h3-9,15,21H,10-11H2,1-2H3/p+1/t15-/m1/s1
InChIKeyKUMRUOZHUOQVAJ-OAHLLOKOSA-O
MW375.83 g/mol
LogP1.75
Rot. Bonds6

About [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium

[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium (PubChem CID 7317627) has the molecular formula C19H20ClN2O4+ and a molecular weight of 375.83 g/mol. Its IUPAC name is [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
PubChem CID7317627
Molecular FormulaC19H20ClN2O4+
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-25-16-8-3-12(9-17(16)26-2)11-21-15-10-18(23)22(19(15)24)14-6-4-13(20)5-7-14/h3-9,15,21H,10-11H2,1-2H3/p+1/t15-/m1/s1
InChIKeyKUMRUOZHUOQVAJ-OAHLLOKOSA-O
XLogP1.75
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7117747
2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4660391
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4746469
[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968725
(3-chlorophenyl)methyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7448625
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4073531
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
CID 7320954

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium?
The IUPAC name of [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium (CID 7317627) is [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium.
What is the SMILES notation for [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium?
The canonical SMILES for [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium is COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC.
What is the InChIKey of [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium?
The InChIKey is KUMRUOZHUOQVAJ-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-16-8-3-12(9-17(16)26-2)11-21-15-10-18(23)22(19(15)24)14-6-4-13(20)5-7-14/h3-9,15,21H,10-11H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium?
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium has a molecular weight of 375.83 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7317627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).