(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one

C21H25FN2O — CID 42235949

IUPAC(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccccc1CN1C(=O)CC[C@@H]1CCNCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-16-4-2-3-5-18(16)15-24-20(10-11-21(24)25)12-13-23-14-17-6-8-19(22)9-7-17/h2-9,20,23H,10-15H2,1H3/t20-/m1/s1
InChIKeyZTTNLBSZRSIKOQ-HXUWFJFHSA-N
MW340.44 g/mol
LogP3.81
Rot. Bonds7

About (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one

(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 42235949) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID42235949
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccccc1CN1C(=O)CC[C@@H]1CCNCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-16-4-2-3-5-18(16)15-24-20(10-11-21(24)25)12-13-23-14-17-6-8-19(22)9-7-17/h2-9,20,23H,10-15H2,1H3/t20-/m1/s1
InChIKeyZTTNLBSZRSIKOQ-HXUWFJFHSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.81
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

(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 42330575
(5S)-1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125163435
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118754202
1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45195483
5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 45252200
(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42377292
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
methyl 4-[[2-[(2S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 42237194
(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one (CID 42235949) is (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccccc1CN1C(=O)CC[C@@H]1CCNCc1ccc(F)cc1.
What is the InChIKey of (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZTTNLBSZRSIKOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16-4-2-3-5-18(16)15-24-20(10-11-21(24)25)12-13-23-14-17-6-8-19(22)9-7-17/h2-9,20,23H,10-15H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 340.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 42235949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).