2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione

C25H24FN3O3 — CID 175039807

IUPAC2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)CCN2CC(=CF)CN1C(=O)c2ccccc2C1=O)N1CCCC1
InChIInChI=1S/C25H24FN3O3/c26-14-17(16-29-24(31)20-5-1-2-6-21(20)25(29)32)15-28-12-9-18-13-19(7-8-22(18)28)23(30)27-10-3-4-11-27/h1-2,5-8,13-14H,3-4,9-12,15-16H2
InChIKeyLPDPTKXHXXJWFB-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.43
Rot. Bonds5

About 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione

2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione (PubChem CID 175039807) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione
PubChem CID175039807
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)CCN2CC(=CF)CN1C(=O)c2ccccc2C1=O)N1CCCC1
InChIInChI=1S/C25H24FN3O3/c26-14-17(16-29-24(31)20-5-1-2-6-21(20)25(29)32)15-28-12-9-18-13-19(7-8-22(18)28)23(30)27-10-3-4-11-27/h1-2,5-8,13-14H,3-4,9-12,15-16H2
InChIKeyLPDPTKXHXXJWFB-UHFFFAOYSA-N
XLogP3.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione (CID 175039807) is 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione is O=C(c1ccc2c(c1)CCN2CC(=CF)CN1C(=O)c2ccccc2C1=O)N1CCCC1.
What is the InChIKey of 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione?
The InChIKey is LPDPTKXHXXJWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-14-17(16-29-24(31)20-5-1-2-6-21(20)25(29)32)15-28-12-9-18-13-19(7-8-22(18)28)23(30)27-10-3-4-11-27/h1-2,5-8,13-14H,3-4,9-12,15-16H2.
What are the key properties of 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione?
2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione has a molecular weight of 433.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 175039807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).