2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide

C15H11FN2O4 — CID 113201627

IUPAC2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(F)c2C1=O)NCc1ccco1
InChIInChI=1S/C15H11FN2O4/c16-11-5-1-4-10-13(11)15(21)18(14(10)20)8-12(19)17-7-9-3-2-6-22-9/h1-6H,7-8H2,(H,17,19)
InChIKeyXCEIGVCCRZAXAN-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.33
Rot. Bonds4

About 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide

2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113201627) has the molecular formula C15H11FN2O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID113201627
Molecular FormulaC15H11FN2O4
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(F)c2C1=O)NCc1ccco1
InChIInChI=1S/C15H11FN2O4/c16-11-5-1-4-10-13(11)15(21)18(14(10)20)8-12(19)17-7-9-3-2-6-22-9/h1-6H,7-8H2,(H,17,19)
InChIKeyXCEIGVCCRZAXAN-UHFFFAOYSA-N
XLogP1.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide 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-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 113201644
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 94765439
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 126208243
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113201993

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 113201627) is 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)c2cccc(F)c2C1=O)NCc1ccco1.
What is the InChIKey of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XCEIGVCCRZAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4/c16-11-5-1-4-10-13(11)15(21)18(14(10)20)8-12(19)17-7-9-3-2-6-22-9/h1-6H,7-8H2,(H,17,19).
What are the key properties of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide?
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 302.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113201627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).