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

C19H20FNO — CID 50747272

IUPAC2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(C2CCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO/c1-14-4-8-16(9-5-14)18-3-2-12-21(18)19(22)13-15-6-10-17(20)11-7-15/h4-11,18H,2-3,12-13H2,1H3
InChIKeyKRLVVBRYMKSFRY-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.04
Rot. Bonds3

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

2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747272) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747272
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(C2CCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO/c1-14-4-8-16(9-5-14)18-3-2-12-21(18)19(22)13-15-6-10-17(20)11-7-15/h4-11,18H,2-3,12-13H2,1H3
InChIKeyKRLVVBRYMKSFRY-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747272) is 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccc(C2CCCN2C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KRLVVBRYMKSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-4-8-16(9-5-14)18-3-2-12-21(18)19(22)13-15-6-10-17(20)11-7-15/h4-11,18H,2-3,12-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(4-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-(4-fluorophenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).