N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide

C12H15FN2O — CID 934518

IUPACN-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyXUHKVJOCQINJLO-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.86
Rot. Bonds3

About N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide

N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 934518) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID934518
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyXUHKVJOCQINJLO-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide (CID 934518) is N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is XUHKVJOCQINJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16).
What are the key properties of N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 222.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 934518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).