2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone

C19H20FNO — CID 50747258

IUPAC2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(C2CCCN2C(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H20FNO/c1-14-7-9-16(10-8-14)18-6-3-11-21(18)19(22)13-15-4-2-5-17(20)12-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChIKeyABQRLYSVWROFGN-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.04
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747258) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747258
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(C2CCCN2C(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H20FNO/c1-14-7-9-16(10-8-14)18-6-3-11-21(18)19(22)13-15-4-2-5-17(20)12-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChIKeyABQRLYSVWROFGN-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Brl-52656
CID 9865223
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3-Benzyl-1-cyclohexylpyrrolidin-2-one
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1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
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CID 755990
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
(2S,3S)-2-amino-3-(4''-fluorobiphenyl-4-yl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 9884543
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
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CID 14810960

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747258) is 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccc(C2CCCN2C(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ABQRLYSVWROFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-7-9-16(10-8-14)18-6-3-11-21(18)19(22)13-15-4-2-5-17(20)12-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 297.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).