(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

C20H22F2N2O — CID 42377292

IUPAC(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(F)c1
InChIInChI=1S/C20H22F2N2O/c21-17-6-3-4-15(12-17)14-24-18(8-9-20(24)25)10-11-23-13-16-5-1-2-7-19(16)22/h1-7,12,18,23H,8-11,13-14H2/t18-/m1/s1
InChIKeyYNQQNQFDQIMHOO-GOSISDBHSA-N
MW344.40 g/mol
LogP3.64
Rot. Bonds7

About (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (PubChem CID 42377292) has the molecular formula C20H22F2N2O and a molecular weight of 344.40 g/mol. Its IUPAC name is (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
PubChem CID42377292
Molecular FormulaC20H22F2N2O
Molecular Weight344.40 g/mol
Exact Mass344.17
IUPAC Name(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(F)c1
InChIInChI=1S/C20H22F2N2O/c21-17-6-3-4-15(12-17)14-24-18(8-9-20(24)25)10-11-23-13-16-5-1-2-7-19(16)22/h1-7,12,18,23H,8-11,13-14H2/t18-/m1/s1
InChIKeyYNQQNQFDQIMHOO-GOSISDBHSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45195483
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45250614
(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880
1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45174372
(5R)-5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 129490823
1-[(2,6-difluorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45180876
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
CID 26354045
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one
CID 42371726
(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42452055

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (CID 42377292) is (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(F)c1.
What is the InChIKey of (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is YNQQNQFDQIMHOO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-17-6-3-4-15(12-17)14-24-18(8-9-20(24)25)10-11-23-13-16-5-1-2-7-19(16)22/h1-7,12,18,23H,8-11,13-14H2/t18-/m1/s1.
What are the key properties of (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 344.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 42377292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).