3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

C24H25FN2O — CID 162640339

IUPAC3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C24H25FN2O/c1-27(2)15-3-12-24(21-5-7-22(25)8-6-21)23-9-4-19(16-20(23)17-28-24)18-10-13-26-14-11-18/h4-11,13-14,16H,3,12,15,17H2,1-2H3
InChIKeyUZTODGMFISSERT-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.00
Rot. Bonds6

About 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 162640339) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID162640339
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C24H25FN2O/c1-27(2)15-3-12-24(21-5-7-22(25)8-6-21)23-9-4-19(16-20(23)17-28-24)18-10-13-26-14-11-18/h4-11,13-14,16H,3,12,15,17H2,1-2H3
InChIKeyUZTODGMFISSERT-UHFFFAOYSA-N
XLogP5.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (CID 162640339) is 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccncc3)ccc21.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is UZTODGMFISSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-27(2)15-3-12-24(21-5-7-22(25)8-6-21)23-9-4-19(16-20(23)17-28-24)18-10-13-26-14-11-18/h4-11,13-14,16H,3,12,15,17H2,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 376.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 162640339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).