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

C19H20ClN2O2+ — CID 4746469

IUPAC(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCCc1ccc(N2C(=O)CC([NH2+]Cc3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-2-13-6-8-16(9-7-13)22-18(23)11-17(19(22)24)21-12-14-4-3-5-15(20)10-14/h3-10,17,21H,2,11-12H2,1H3/p+1
InChIKeyQJTFMRHCDCPUSQ-UHFFFAOYSA-O
MW343.83 g/mol
LogP2.30
Rot. Bonds5

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

(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 4746469) has the molecular formula C19H20ClN2O2+ and a molecular weight of 343.83 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID4746469
Molecular FormulaC19H20ClN2O2+
Molecular Weight343.83 g/mol
Exact Mass343.12
IUPAC Name(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCCc1ccc(N2C(=O)CC([NH2+]Cc3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-2-13-6-8-16(9-7-13)22-18(23)11-17(19(22)24)21-12-14-4-3-5-15(20)10-14/h3-10,17,21H,2,11-12H2,1H3/p+1
InChIKeyQJTFMRHCDCPUSQ-UHFFFAOYSA-O
XLogP2.30
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]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

(3-chlorophenyl)methyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7448625
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7317627
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968725
benzyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 6925114
benzyl-[1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4078174
(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279544
[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 7308135
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4187193
[(3R)-1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-(1,3-benzodioxol-5-ylmethyl)azanium
CID 2243481
(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

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 4746469) is (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is CCc1ccc(N2C(=O)CC([NH2+]Cc3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is QJTFMRHCDCPUSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-13-6-8-16(9-7-13)22-18(23)11-17(19(22)24)21-12-14-4-3-5-15(20)10-14/h3-10,17,21H,2,11-12H2,1H3/p+1.
What are the key properties of (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 343.83 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 4746469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).