2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C15H20F2N2O — CID 62306110

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCc1cc(F)cc(F)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H20F2N2O/c1-11(15(20)19-6-2-3-7-19)18-5-4-12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3
InChIKeyXUTITJDPUMKWLE-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62306110) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62306110
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCc1cc(F)cc(F)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H20F2N2O/c1-11(15(20)19-6-2-3-7-19)18-5-4-12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3
InChIKeyXUTITJDPUMKWLE-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[2-(3-methylphenyl)ethylamino]propan-1-one
CID 62313384
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 106416090
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
CID 43545989

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 62306110) is 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is CC(NCCc1cc(F)cc(F)c1)C(=O)N1CCCC1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XUTITJDPUMKWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-11(15(20)19-6-2-3-7-19)18-5-4-12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3.
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62306110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).