1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

C15H20F2N2O — CID 63164974

IUPAC1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCC(N(C)C)C1
InChIInChI=1S/C15H20F2N2O/c1-10(19-7-6-12(9-19)18(2)3)15(20)13-5-4-11(16)8-14(13)17/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyUNTBNGDAQNCOCY-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 63164974) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID63164974
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCC(N(C)C)C1
InChIInChI=1S/C15H20F2N2O/c1-10(19-7-6-12(9-19)18(2)3)15(20)13-5-4-11(16)8-14(13)17/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyUNTBNGDAQNCOCY-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-difluorophenyl)propan-1-one
CID 79929510
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82980165
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165105
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594131
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,4-difluoro-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (CID 63164974) is 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is CC(C(=O)c1ccc(F)cc1F)N1CCC(N(C)C)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UNTBNGDAQNCOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(19-7-6-12(9-19)18(2)3)15(20)13-5-4-11(16)8-14(13)17/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 63164974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).