1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one

C15H20F2N2O — CID 107523045

IUPAC1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(N)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-2-3-10-6-15(20)19(8-10)9-14(18)12-5-4-11(16)7-13(12)17/h4-5,7,10,14H,2-3,6,8-9,18H2,1H3
InChIKeyUAIMSCRNTNLOTP-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one

1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one (PubChem CID 107523045) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
PubChem CID107523045
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(N)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-2-3-10-6-15(20)19(8-10)9-14(18)12-5-4-11(16)7-13(12)17/h4-5,7,10,14H,2-3,6,8-9,18H2,1H3
InChIKeyUAIMSCRNTNLOTP-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one
CID 104511396
1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510823
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522881
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-4-propylpyrrolidin-2-one
CID 104512489
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512578
1-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104512526
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
3-fluoro-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzonitrile
CID 104511806
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one (CID 107523045) is 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(N)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one?
The InChIKey is UAIMSCRNTNLOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-3-10-6-15(20)19(8-10)9-14(18)12-5-4-11(16)7-13(12)17/h4-5,7,10,14H,2-3,6,8-9,18H2,1H3.
What are the key properties of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one?
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one has a molecular weight of 282.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 107523045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).