2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H16ClF2NO — CID 50747020

IUPAC2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H16ClF2NO/c19-16-11-15(21)7-6-12(16)10-18(23)22-8-2-5-17(22)13-3-1-4-14(20)9-13/h1,3-4,6-7,9,11,17H,2,5,8,10H2
InChIKeyOKXGLSGOJYCERL-UHFFFAOYSA-N
MW335.78 g/mol
LogP4.52
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747020) has the molecular formula C18H16ClF2NO and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747020
Molecular FormulaC18H16ClF2NO
Molecular Weight335.78 g/mol
Exact Mass335.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H16ClF2NO/c19-16-11-15(21)7-6-12(16)10-18(23)22-8-2-5-17(22)13-3-1-4-14(20)9-13/h1,3-4,6-7,9,11,17H,2,5,8,10H2
InChIKeyOKXGLSGOJYCERL-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 50747020) is 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1Cl)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is OKXGLSGOJYCERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO/c19-16-11-15(21)7-6-12(16)10-18(23)22-8-2-5-17(22)13-3-1-4-14(20)9-13/h1,3-4,6-7,9,11,17H,2,5,8,10H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 335.78 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).