2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate

C20H18FNO5 — CID 9362967

IUPAC2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)OCCOc1ccc(F)cc1
InChIInChI=1S/C20H18FNO5/c21-14-7-9-15(10-8-14)26-12-13-27-18(23)6-3-11-22-19(24)16-4-1-2-5-17(16)20(22)25/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyMZNTZIMXTXJGTB-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.82
Rot. Bonds8

About 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate

2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 9362967) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate
PubChem CID9362967
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)OCCOc1ccc(F)cc1
InChIInChI=1S/C20H18FNO5/c21-14-7-9-15(10-8-14)26-12-13-27-18(23)6-3-11-22-19(24)16-4-1-2-5-17(16)20(22)25/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyMZNTZIMXTXJGTB-UHFFFAOYSA-N
XLogP2.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate 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

2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
[2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363316
2-(2-fluorophenoxy)ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 3937660
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-ethoxyphenyl)propanoate
CID 19226189
2-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671606
3-pyridin-3-ylpropyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 78772685
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenoxy]butanoic acid
CID 11725612
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
(4-bromophenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 1303817

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate (CID 9362967) is 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate is O=C(CCCN1C(=O)c2ccccc2C1=O)OCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate?
The InChIKey is MZNTZIMXTXJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c21-14-7-9-15(10-8-14)26-12-13-27-18(23)6-3-11-22-19(24)16-4-1-2-5-17(16)20(22)25/h1-2,4-5,7-10H,3,6,11-13H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate?
2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 371.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 9362967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).