4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide

C14H13FN2O3 — CID 106197518

IUPAC4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(F)cc2C#CCO)CN1
InChIInChI=1S/C14H13FN2O3/c15-10-3-4-12(9(6-10)2-1-5-18)14(20)17-11-7-13(19)16-8-11/h3-4,6,11,18H,5,7-8H2,(H,16,19)(H,17,20)
InChIKeyVYVTYGOMSVOQOQ-UHFFFAOYSA-N
MW276.27 g/mol
LogP-0.21
Rot. Bonds2

About 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 106197518) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID106197518
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(F)cc2C#CCO)CN1
InChIInChI=1S/C14H13FN2O3/c15-10-3-4-12(9(6-10)2-1-5-18)14(20)17-11-7-13(19)16-8-11/h3-4,6,11,18H,5,7-8H2,(H,16,19)(H,17,20)
InChIKeyVYVTYGOMSVOQOQ-UHFFFAOYSA-N
XLogP-0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197500
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197488
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197553
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197528
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114550695
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide (CID 106197518) is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide is O=C1CC(NC(=O)c2ccc(F)cc2C#CCO)CN1.
What is the InChIKey of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is VYVTYGOMSVOQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-3-4-12(9(6-10)2-1-5-18)14(20)17-11-7-13(19)16-8-11/h3-4,6,11,18H,5,7-8H2,(H,16,19)(H,17,20).
What are the key properties of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide?
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 276.27 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106197518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).