4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide

C14H15FN2O3 — CID 2219821

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN2O3/c15-10-4-1-2-5-11(10)16-12(18)6-3-9-17-13(19)7-8-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18)
InChIKeyVXAPHESDQSXXGU-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.69
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide (PubChem CID 2219821) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide
PubChem CID2219821
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN2O3/c15-10-4-1-2-5-11(10)16-12(18)6-3-9-17-13(19)7-8-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18)
InChIKeyVXAPHESDQSXXGU-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide (CID 2219821) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1ccccc1F.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide?
The InChIKey is VXAPHESDQSXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-10-4-1-2-5-11(10)16-12(18)6-3-9-17-13(19)7-8-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide has a molecular weight of 278.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)butanamide is sourced from PubChem (CID 2219821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).