2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one

C13H17FN2O — CID 42911861

IUPAC2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17FN2O/c1-10(13(17)16-8-2-3-9-16)15-12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyRQEOVEDAIQGRRH-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.25
Rot. Bonds3

About 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one

2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 42911861) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID42911861
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17FN2O/c1-10(13(17)16-8-2-3-9-16)15-12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyRQEOVEDAIQGRRH-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 42911861) is 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one is CC(Nc1ccc(F)cc1)C(=O)N1CCCC1.
What is the InChIKey of 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RQEOVEDAIQGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10(13(17)16-8-2-3-9-16)15-12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 236.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 42911861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).