1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one

C19H20FNO — CID 50747096

IUPAC1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C19H20FNO/c20-17-9-4-8-16(14-17)18-10-5-13-21(18)19(22)12-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2
InChIKeyQWGRXASCVQRJJG-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.12
Rot. Bonds4

About 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 50747096) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID50747096
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C19H20FNO/c20-17-9-4-8-16(14-17)18-10-5-13-21(18)19(22)12-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2
InChIKeyQWGRXASCVQRJJG-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-Benzyl-N-hydroxy-5-phenylpentamide
CID 157806
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
Ksp-IA
CID 24901494

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 50747096) is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is QWGRXASCVQRJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-17-9-4-8-16(14-17)18-10-5-13-21(18)19(22)12-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2.
What are the key properties of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one?
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 297.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 50747096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).