(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

C22H25FN2O — CID 42452055

IUPAC(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CCNCc2ccccc2F)N1C1Cc2ccccc2C1
InChIInChI=1S/C22H25FN2O/c23-21-8-4-3-7-18(21)15-24-12-11-19-9-10-22(26)25(19)20-13-16-5-1-2-6-17(16)14-20/h1-8,19-20,24H,9-15H2/t19-/m0/s1
InChIKeyDLGXAZAFYWIFEM-IBGZPJMESA-N
MW352.45 g/mol
LogP3.46
Rot. Bonds6

About (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (PubChem CID 42452055) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
PubChem CID42452055
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CCNCc2ccccc2F)N1C1Cc2ccccc2C1
InChIInChI=1S/C22H25FN2O/c23-21-8-4-3-7-18(21)15-24-12-11-19-9-10-22(26)25(19)20-13-16-5-1-2-6-17(16)14-20/h1-8,19-20,24H,9-15H2/t19-/m0/s1
InChIKeyDLGXAZAFYWIFEM-IBGZPJMESA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.46
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-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45174372
(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42377292
1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45195483
(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
CID 26354045
(5R)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 26321183
(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrrolidin-2-one
CID 42383163
(5R)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrrolidin-2-one
CID 42383166
(5S)-1-cyclopentyl-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 31074339
2-(3-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 59323136
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one
CID 42371726
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (CID 42452055) is (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is O=C1CC[C@@H](CCNCc2ccccc2F)N1C1Cc2ccccc2C1.
What is the InChIKey of (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is DLGXAZAFYWIFEM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25FN2O/c23-21-8-4-3-7-18(21)15-24-12-11-19-9-10-22(26)25(19)20-13-16-5-1-2-6-17(16)14-20/h1-8,19-20,24H,9-15H2/t19-/m0/s1.
What are the key properties of (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
(5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 352.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 42452055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).