3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one

C20H22FNO2 — CID 3946238

IUPAC3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-24-18-10-6-16(7-11-18)19(15-4-8-17(21)9-5-15)14-20(23)22-12-2-3-13-22/h4-11,19H,2-3,12-14H2,1H3
InChIKeyJGUBUNDASUIZIB-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 3946238) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID3946238
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-24-18-10-6-16(7-11-18)19(15-4-8-17(21)9-5-15)14-20(23)22-12-2-3-13-22/h4-11,19H,2-3,12-14H2,1H3
InChIKeyJGUBUNDASUIZIB-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 3946238) is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(C(CC(=O)N2CCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JGUBUNDASUIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-24-18-10-6-16(7-11-18)19(15-4-8-17(21)9-5-15)14-20(23)22-12-2-3-13-22/h4-11,19H,2-3,12-14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 3946238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).