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

C19H20FNO — CID 94627618

IUPAC2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H20FNO/c1-14-6-2-3-9-17(14)18-10-5-11-21(18)19(22)13-15-7-4-8-16(20)12-15/h2-4,6-9,12,18H,5,10-11,13H2,1H3/t18-/m0/s1
InChIKeyHDWKGHHQTMPXPV-SFHVURJKSA-N
MW297.37 g/mol
LogP4.04
Rot. Bonds3

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

2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 94627618) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID94627618
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H20FNO/c1-14-6-2-3-9-17(14)18-10-5-11-21(18)19(22)13-15-7-4-8-16(20)12-15/h2-4,6-9,12,18H,5,10-11,13H2,1H3/t18-/m0/s1
InChIKeyHDWKGHHQTMPXPV-SFHVURJKSA-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

2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069665
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95735012
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
2-(3-fluorophenyl)-1-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394778
2-(3-fluorophenyl)-1-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 60979358
2-(4-aminophenyl)-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119800953
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 94627618) is 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HDWKGHHQTMPXPV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-6-2-3-9-17(14)18-10-5-11-21(18)19(22)13-15-7-4-8-16(20)12-15/h2-4,6-9,12,18H,5,10-11,13H2,1H3/t18-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(2S)-2-(2-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-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94627618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).