2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C20H21ClFNO — CID 11717183

IUPAC2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(c2cccc(F)c2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFNO/c1-20(2,16-6-8-17(21)9-7-16)19(24)23-11-10-15(13-23)14-4-3-5-18(22)12-14/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyOHUWRPCLWQAAMG-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.77
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 11717183) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID11717183
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(c2cccc(F)c2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFNO/c1-20(2,16-6-8-17(21)9-7-16)19(24)23-11-10-15(13-23)14-4-3-5-18(22)12-14/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyOHUWRPCLWQAAMG-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 11717183) is 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)(C(=O)N1CCC(c2cccc(F)c2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OHUWRPCLWQAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO/c1-20(2,16-6-8-17(21)9-7-16)19(24)23-11-10-15(13-23)14-4-3-5-18(22)12-14/h3-9,12,15H,10-11,13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 345.85 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-(3-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 11717183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).