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

C17H25FN2O — CID 45250614

IUPAC5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)CCC1CCNCc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-13(2)12-20-16(6-7-17(20)21)8-9-19-11-14-4-3-5-15(18)10-14/h3-5,10,13,16,19H,6-9,11-12H2,1-2H3
InChIKeyFWTAKSVJKDAEEJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds7

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

5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 45250614) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID45250614
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)CCC1CCNCc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-13(2)12-20-16(6-7-17(20)21)8-9-19-11-14-4-3-5-15(18)10-14/h3-5,10,13,16,19H,6-9,11-12H2,1-2H3
InChIKeyFWTAKSVJKDAEEJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
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-[(3-fluorophenyl)methylamino]ethyl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 129490823
(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42377292
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[(2S)-2-phenylpropyl]pyrrolidin-2-one
CID 26276309
1-[(2,6-difluorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45180876
(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118754202
(5S)-1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125163435
(5R)-1-[(2S)-2-phenylpropyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 42247085
(5S)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-propan-2-ylpyrrolidin-2-one
CID 26348735
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 26283248

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 45250614) is 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1C(=O)CCC1CCNCc1cccc(F)c1.
What is the InChIKey of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is FWTAKSVJKDAEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(2)12-20-16(6-7-17(20)21)8-9-19-11-14-4-3-5-15(18)10-14/h3-5,10,13,16,19H,6-9,11-12H2,1-2H3.
What are the key properties of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 292.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45250614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).