2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione

C20H21FN2O2 — CID 118733328

IUPAC2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCNCc1ccccc1F
InChIInChI=1S/C20H21FN2O2/c21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-23-19(24)16-9-3-4-10-17(16)20(23)25/h2-5,8-11,22H,1,6-7,12-14H2
InChIKeyVUMWKZRTOJCTDT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.38
Rot. Bonds8

About 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione

2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione (PubChem CID 118733328) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione
PubChem CID118733328
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCNCc1ccccc1F
InChIInChI=1S/C20H21FN2O2/c21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-23-19(24)16-9-3-4-10-17(16)20(23)25/h2-5,8-11,22H,1,6-7,12-14H2
InChIKeyVUMWKZRTOJCTDT-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione (CID 118733328) is 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCNCc1ccccc1F.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione?
The InChIKey is VUMWKZRTOJCTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-23-19(24)16-9-3-4-10-17(16)20(23)25/h2-5,8-11,22H,1,6-7,12-14H2.
What are the key properties of 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione?
2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione has a molecular weight of 340.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methylamino]pentyl]isoindole-1,3-dione is sourced from PubChem (CID 118733328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).