1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one

C17H23ClFNO — CID 103048066

IUPAC1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1cc(Cl)ccc1F)N1CCCC1
InChIInChI=1S/C17H23ClFNO/c1-3-17(4-2,20-9-5-6-10-20)16(21)12-13-11-14(18)7-8-15(13)19/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyHQBCUUKHUIJDDW-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.25
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one

1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one (PubChem CID 103048066) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
PubChem CID103048066
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1cc(Cl)ccc1F)N1CCCC1
InChIInChI=1S/C17H23ClFNO/c1-3-17(4-2,20-9-5-6-10-20)16(21)12-13-11-14(18)7-8-15(13)19/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyHQBCUUKHUIJDDW-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-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 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one (CID 103048066) is 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one is CCC(CC)(C(=O)Cc1cc(Cl)ccc1F)N1CCCC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
The InChIKey is HQBCUUKHUIJDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-3-17(4-2,20-9-5-6-10-20)16(21)12-13-11-14(18)7-8-15(13)19/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one has a molecular weight of 311.83 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 103048066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).