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

C19H19Cl2N2O3+ — CID 7279544

IUPAC(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-2-26-15-7-5-14(6-8-15)23-18(24)10-17(19(23)25)22-11-12-3-4-13(20)9-16(12)21/h3-9,17,22H,2,10-11H2,1H3/p+1/t17-/m1/s1
InChIKeyHYRXACQMPVKSCO-QGZVFWFLSA-O
MW394.28 g/mol
LogP2.79
Rot. Bonds6

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

(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 7279544) has the molecular formula C19H19Cl2N2O3+ and a molecular weight of 394.28 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID7279544
Molecular FormulaC19H19Cl2N2O3+
Molecular Weight394.28 g/mol
Exact Mass393.08
IUPAC Name(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-2-26-15-7-5-14(6-8-15)23-18(24)10-17(19(23)25)22-11-12-3-4-13(20)9-16(12)21/h3-9,17,22H,2,10-11H2,1H3/p+1/t17-/m1/s1
InChIKeyHYRXACQMPVKSCO-QGZVFWFLSA-O
XLogP2.79
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl)methyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7448625
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7309107
[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4090695
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4746469
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7317627
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-thiophen-2-ylethyl)azanium
CID 7057836
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium
CID 7380591

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 7279544) is (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is HYRXACQMPVKSCO-QGZVFWFLSA-O. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-2-26-15-7-5-14(6-8-15)23-18(24)10-17(19(23)25)22-11-12-3-4-13(20)9-16(12)21/h3-9,17,22H,2,10-11H2,1H3/p+1/t17-/m1/s1.
What are the key properties of (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 394.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 7279544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).