3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one

C19H15BrFNO2 — CID 10172804

IUPAC3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H15BrFNO2/c20-18-17(24-13-15-4-2-1-3-5-15)10-11-22(19(18)23)12-14-6-8-16(21)9-7-14/h1-11H,12-13H2
InChIKeyWDQFELYCHMWETR-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.38
Rot. Bonds5

About 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one

3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one (PubChem CID 10172804) has the molecular formula C19H15BrFNO2 and a molecular weight of 388.24 g/mol. Its IUPAC name is 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
PubChem CID10172804
Molecular FormulaC19H15BrFNO2
Molecular Weight388.24 g/mol
Exact Mass387.03
IUPAC Name3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H15BrFNO2/c20-18-17(24-13-15-4-2-1-3-5-15)10-11-22(19(18)23)12-14-6-8-16(21)9-7-14/h1-11H,12-13H2
InChIKeyWDQFELYCHMWETR-UHFFFAOYSA-N
XLogP4.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one (CID 10172804) is 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one is O=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccc(F)cc1.
What is the InChIKey of 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is WDQFELYCHMWETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO2/c20-18-17(24-13-15-4-2-1-3-5-15)10-11-22(19(18)23)12-14-6-8-16(21)9-7-14/h1-11H,12-13H2.
What are the key properties of 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 388.24 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(4-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10172804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).