4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H17FN2O3 — CID 103874932

IUPAC4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1O)C(=O)N1CCCC1
InChIInChI=1S/C14H17FN2O3/c1-9(14(20)17-6-2-3-7-17)16-13(19)11-5-4-10(15)8-12(11)18/h4-5,8-9,18H,2-3,6-7H2,1H3,(H,16,19)
InChIKeyUXNSYWIBBMQAMC-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.27
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 103874932) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID103874932
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1O)C(=O)N1CCCC1
InChIInChI=1S/C14H17FN2O3/c1-9(14(20)17-6-2-3-7-17)16-13(19)11-5-4-10(15)8-12(11)18/h4-5,8-9,18H,2-3,6-7H2,1H3,(H,16,19)
InChIKeyUXNSYWIBBMQAMC-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 103874932) is 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(F)cc1O)C(=O)N1CCCC1.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is UXNSYWIBBMQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(14(20)17-6-2-3-7-17)16-13(19)11-5-4-10(15)8-12(11)18/h4-5,8-9,18H,2-3,6-7H2,1H3,(H,16,19).
What are the key properties of 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 280.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103874932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).