1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

C21H24F2N2O — CID 45195483

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CCC2CCNCc2ccccc2F)cc1F
InChIInChI=1S/C21H24F2N2O/c1-15-6-7-16(12-20(15)23)14-25-18(8-9-21(25)26)10-11-24-13-17-4-2-3-5-19(17)22/h2-7,12,18,24H,8-11,13-14H2,1H3
InChIKeyMODHTYSCYJMWKP-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.94
Rot. Bonds7

About 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (PubChem CID 45195483) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
PubChem CID45195483
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CCC2CCNCc2ccccc2F)cc1F
InChIInChI=1S/C21H24F2N2O/c1-15-6-7-16(12-20(15)23)14-25-18(8-9-21(25)26)10-11-24-13-17-4-2-3-5-19(17)22/h2-7,12,18,24H,8-11,13-14H2,1H3
InChIKeyMODHTYSCYJMWKP-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.94
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

(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42377292
(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125160339
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 26317065
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45174372
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
1-[(2,6-difluorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45180876
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)-1-(2,3-dihydro-1H-inden-2-yl)-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42452055
5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118754202

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (CID 45195483) is 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is Cc1ccc(CN2C(=O)CCC2CCNCc2ccccc2F)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is MODHTYSCYJMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-15-6-7-16(12-20(15)23)14-25-18(8-9-21(25)26)10-11-24-13-17-4-2-3-5-19(17)22/h2-7,12,18,24H,8-11,13-14H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 358.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45195483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).