3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C15H19FN2O3 — CID 71670005

IUPAC3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCOCCCNC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-2-21-9-3-8-17-13-10-14(19)18(15(13)20)12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyBXCJFOHRLVLAMO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.47
Rot. Bonds7

About 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 71670005) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID71670005
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCOCCCNC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-2-21-9-3-8-17-13-10-14(19)18(15(13)20)12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyBXCJFOHRLVLAMO-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 71670005) is 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is CCOCCCNC1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is BXCJFOHRLVLAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-21-9-3-8-17-13-10-14(19)18(15(13)20)12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3.
What are the key properties of 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71670005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).