3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one

C21H19BrFNO2 — CID 10194540

IUPAC3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1CCCc1ccccc1
InChIInChI=1S/C21H19BrFNO2/c22-20-19(26-15-17-8-10-18(23)11-9-17)12-14-24(21(20)25)13-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-12,14H,4,7,13,15H2
InChIKeyLPIYWNIAXNOXHM-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.96
Rot. Bonds7

About 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one

3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one (PubChem CID 10194540) has the molecular formula C21H19BrFNO2 and a molecular weight of 416.29 g/mol. Its IUPAC name is 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one
PubChem CID10194540
Molecular FormulaC21H19BrFNO2
Molecular Weight416.29 g/mol
Exact Mass415.06
IUPAC Name3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1CCCc1ccccc1
InChIInChI=1S/C21H19BrFNO2/c22-20-19(26-15-17-8-10-18(23)11-9-17)12-14-24(21(20)25)13-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-12,14H,4,7,13,15H2
InChIKeyLPIYWNIAXNOXHM-UHFFFAOYSA-N
XLogP4.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one?
The IUPAC name of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one (CID 10194540) is 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)cc2)ccn1CCCc1ccccc1.
What is the InChIKey of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one?
The InChIKey is LPIYWNIAXNOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFNO2/c22-20-19(26-15-17-8-10-18(23)11-9-17)12-14-24(21(20)25)13-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-12,14H,4,7,13,15H2.
What are the key properties of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one?
3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one has a molecular weight of 416.29 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one is sourced from PubChem (CID 10194540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).