3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one

C16H23FN2O — CID 106252639

IUPAC3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one
SMILESCCCCC(NC1CCN(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-3-4-5-14(12-6-8-13(17)9-7-12)18-15-10-11-19(2)16(15)20/h6-9,14-15,18H,3-5,10-11H2,1-2H3
InChIKeyUBPNRQDVGYBGHK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.88
Rot. Bonds6

About 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one

3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one (PubChem CID 106252639) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one
PubChem CID106252639
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one
SMILESCCCCC(NC1CCN(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-3-4-5-14(12-6-8-13(17)9-7-12)18-15-10-11-19(2)16(15)20/h6-9,14-15,18H,3-5,10-11H2,1-2H3
InChIKeyUBPNRQDVGYBGHK-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
2-[1-(4-fluorophenyl)pentylamino]cyclohexan-1-ol
CID 62365971
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
[2-[1-(4-fluorophenyl)pentylamino]cyclopentyl]methanol
CID 103786106
[2-[1-(4-fluorophenyl)pentylamino]cyclohexyl]methanol
CID 106359644
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
CID 60856525
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
N-[1-(4-fluorophenyl)propyl]-1-methylpiperidin-3-amine
CID 61211400
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one (CID 106252639) is 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one is CCCCC(NC1CCN(C)C1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one?
The InChIKey is UBPNRQDVGYBGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-4-5-14(12-6-8-13(17)9-7-12)18-15-10-11-19(2)16(15)20/h6-9,14-15,18H,3-5,10-11H2,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one?
3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one has a molecular weight of 278.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106252639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).