1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

C18H17ClFNO — CID 50747085

IUPAC1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO/c19-16-5-2-1-4-15(16)17-6-3-11-21(17)18(22)12-13-7-9-14(20)10-8-13/h1-2,4-5,7-10,17H,3,6,11-12H2
InChIKeyQNHLEJIYPLKZGU-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.39
Rot. Bonds3

About 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 50747085) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID50747085
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO/c19-16-5-2-1-4-15(16)17-6-3-11-21(17)18(22)12-13-7-9-14(20)10-8-13/h1-2,4-5,7-10,17H,3,6,11-12H2
InChIKeyQNHLEJIYPLKZGU-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 50747085) is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is QNHLEJIYPLKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-16-5-2-1-4-15(16)17-6-3-11-21(17)18(22)12-13-7-9-14(20)10-8-13/h1-2,4-5,7-10,17H,3,6,11-12H2.
What are the key properties of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 317.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 50747085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).