2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C17H21ClFNO — CID 103048068

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H21ClFNO/c18-14-5-6-15(19)13(11-14)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11H,1-4,7-10,12H2
InChIKeyUNVNKFQDEBGRJI-UHFFFAOYSA-N
MW309.81 g/mol
LogP4.00
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 103048068) has the molecular formula C17H21ClFNO and a molecular weight of 309.81 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID103048068
Molecular FormulaC17H21ClFNO
Molecular Weight309.81 g/mol
Exact Mass309.13
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H21ClFNO/c18-14-5-6-15(19)13(11-14)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11H,1-4,7-10,12H2
InChIKeyUNVNKFQDEBGRJI-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 103048068) is 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is O=C(Cc1cc(Cl)ccc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is UNVNKFQDEBGRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNO/c18-14-5-6-15(19)13(11-14)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11H,1-4,7-10,12H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 309.81 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 103048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).