2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H15FN2O2 — CID 2449503

IUPAC2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c14-11-6-2-1-5-10(11)13(18)15-9-12(17)16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,15,18)
InChIKeyPAPPZTCYYGHSMR-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.18
Rot. Bonds3

About 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 2449503) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID2449503
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c14-11-6-2-1-5-10(11)13(18)15-9-12(17)16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,15,18)
InChIKeyPAPPZTCYYGHSMR-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 2449503) is 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is PAPPZTCYYGHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-6-2-1-5-10(11)13(18)15-9-12(17)16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,15,18).
What are the key properties of 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 250.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 2449503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).