1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

C21H24ClFN2O — CID 45174372

IUPAC1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccccc2F)N1CCc1ccccc1Cl
InChIInChI=1S/C21H24ClFN2O/c22-19-7-3-1-5-16(19)12-14-25-18(9-10-21(25)26)11-13-24-15-17-6-2-4-8-20(17)23/h1-8,18,24H,9-15H2
InChIKeyQWYFPOZUWLPFAC-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.19
Rot. Bonds8

About 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one

1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (PubChem CID 45174372) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
PubChem CID45174372
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccccc2F)N1CCc1ccccc1Cl
InChIInChI=1S/C21H24ClFN2O/c22-19-7-3-1-5-16(19)12-14-25-18(9-10-21(25)26)11-13-24-15-17-6-2-4-8-20(17)23/h1-8,18,24H,9-15H2
InChIKeyQWYFPOZUWLPFAC-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.19
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)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 26321183
(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
(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
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
(5R)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrrolidin-2-one
CID 42383166
(5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrrolidin-2-one
CID 42383163
1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 126462117
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45210493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (CID 45174372) is 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is O=C1CCC(CCNCc2ccccc2F)N1CCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is QWYFPOZUWLPFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c22-19-7-3-1-5-16(19)12-14-25-18(9-10-21(25)26)11-13-24-15-17-6-2-4-8-20(17)23/h1-8,18,24H,9-15H2.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one?
1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 374.89 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45174372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).