2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H17ClFNO — CID 50747004

IUPAC2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H17ClFNO/c19-15-6-1-4-13(10-15)11-18(22)21-9-3-8-17(21)14-5-2-7-16(20)12-14/h1-2,4-7,10,12,17H,3,8-9,11H2
InChIKeyFBOGPUJLKJVXSD-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747004) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747004
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H17ClFNO/c19-15-6-1-4-13(10-15)11-18(22)21-9-3-8-17(21)14-5-2-7-16(20)12-14/h1-2,4-7,10,12,17H,3,8-9,11H2
InChIKeyFBOGPUJLKJVXSD-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 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 50747004) is 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is FBOGPUJLKJVXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-6-1-4-13(10-15)11-18(22)21-9-3-8-17(21)14-5-2-7-16(20)12-14/h1-2,4-7,10,12,17H,3,8-9,11H2.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]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 2-(3-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).