2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide

C15H13FN2O3 — CID 90548247

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC#Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c16-12-5-3-11(4-6-12)2-1-9-17-13(19)10-18-14(20)7-8-15(18)21/h3-6H,7-10H2,(H,17,19)
InChIKeyIHPLVNSSXVJRHE-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.44
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide (PubChem CID 90548247) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
PubChem CID90548247
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC#Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c16-12-5-3-11(4-6-12)2-1-9-17-13(19)10-18-14(20)7-8-15(18)21/h3-6H,7-10H2,(H,17,19)
InChIKeyIHPLVNSSXVJRHE-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90551963
N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
CID 90548082
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
CID 90549332
N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90548784
N-[3-(4-fluorophenyl)prop-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90548026
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615515
2-(3,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548184
N-[3-(4-fluorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548213
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide
CID 90551172
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90548030
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
CID 90550971
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide (CID 90548247) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide is O=C(CN1C(=O)CCC1=O)NCC#Cc1ccc(F)cc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide?
The InChIKey is IHPLVNSSXVJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-5-3-11(4-6-12)2-1-9-17-13(19)10-18-14(20)7-8-15(18)21/h3-6H,7-10H2,(H,17,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide has a molecular weight of 288.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 90548247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).