6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide

C20H19FN2O3 — CID 5023404

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c21-14-7-6-8-15(13-14)22-18(24)11-2-1-5-12-23-19(25)16-9-3-4-10-17(16)20(23)26/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,24)
InChIKeyBYGPIHGODVSFJG-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.62
Rot. Bonds7

About 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide (PubChem CID 5023404) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
PubChem CID5023404
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c21-14-7-6-8-15(13-14)22-18(24)11-2-1-5-12-23-19(25)16-9-3-4-10-17(16)20(23)26/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,24)
InChIKeyBYGPIHGODVSFJG-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide 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-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
N-(3-fluorophenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19170181
11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide
CID 3354332
6-[5-[3-[6-(3-fluoroanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-fluorophenyl)hexanamide
CID 4756418
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
CID 113202381
2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250562
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
N-(3-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide
CID 20948665
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide (CID 5023404) is 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide?
The InChIKey is BYGPIHGODVSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-14-7-6-8-15(13-14)22-18(24)11-2-1-5-12-23-19(25)16-9-3-4-10-17(16)20(23)26/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,24).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide has a molecular weight of 354.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide is sourced from PubChem (CID 5023404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).