1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

C20H23ClFNO2 — CID 3066409

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1F.Cl
InChIInChI=1S/C20H22FNO2.ClH/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15;/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3;1H
InChIKeyFBOKPSLUEMBSIQ-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.32
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 3066409) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID3066409
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1F.Cl
InChIInChI=1S/C20H22FNO2.ClH/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15;/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3;1H
InChIKeyFBOKPSLUEMBSIQ-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 3066409) is 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride is COc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is FBOKPSLUEMBSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2.ClH/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15;/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 363.86 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 3066409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).