2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

C19H20FN2O2+ — CID 4184953

IUPAC2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCc1ccc(N2C(=O)CC([NH2+]CCc3ccccc3F)C2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-6-8-15(9-7-13)22-18(23)12-17(19(22)24)21-11-10-14-4-2-3-5-16(14)20/h2-9,17,21H,10-12H2,1H3/p+1
InChIKeyZPFXHYHCUBXULF-UHFFFAOYSA-O
MW327.38 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 4184953) has the molecular formula C19H20FN2O2+ and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID4184953
Molecular FormulaC19H20FN2O2+
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCc1ccc(N2C(=O)CC([NH2+]CCc3ccccc3F)C2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-6-8-15(9-7-13)22-18(23)12-17(19(22)24)21-11-10-14-4-2-3-5-16(14)20/h2-9,17,21H,10-12H2,1H3/p+1
InChIKeyZPFXHYHCUBXULF-UHFFFAOYSA-O
XLogP1.57
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.57
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

[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7117747
2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7309107
[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(2S)-2-phenylpropyl]azanium
CID 6935449
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222
[(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
[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7678359
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(3-methylthiophen-2-yl)ethyl]azanium
CID 7057832

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 4184953) is 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is Cc1ccc(N2C(=O)CC([NH2+]CCc3ccccc3F)C2=O)cc1.
What is the InChIKey of 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is ZPFXHYHCUBXULF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19FN2O2/c1-13-6-8-15(9-7-13)22-18(23)12-17(19(22)24)21-11-10-14-4-2-3-5-16(14)20/h2-9,17,21H,10-12H2,1H3/p+1.
What are the key properties of 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 327.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 4184953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).