3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide

C17H12F2N2O3 — CID 113202778

IUPAC3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O3/c18-10-4-6-11(7-5-10)20-14(22)8-9-21-16(23)12-2-1-3-13(19)15(12)17(21)24/h1-7H,8-9H2,(H,20,22)
InChIKeyFQJLJLNAERSJNJ-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds4

About 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide

3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 113202778) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
PubChem CID113202778
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O3/c18-10-4-6-11(7-5-10)20-14(22)8-9-21-16(23)12-2-1-3-13(19)15(12)17(21)24/h1-7H,8-9H2,(H,20,22)
InChIKeyFQJLJLNAERSJNJ-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide 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

N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202807
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202679
N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202834
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
CID 113202381
3-(4-nitro-1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 718182
N-(5-fluoro-2-methylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 7777742
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113202740

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide (CID 113202778) is 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide is O=C(CCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is FQJLJLNAERSJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c18-10-4-6-11(7-5-10)20-14(22)8-9-21-16(23)12-2-1-3-13(19)15(12)17(21)24/h1-7H,8-9H2,(H,20,22).
What are the key properties of 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide?
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 330.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113202778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).