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

C19H14BrF2NO2 — CID 10194381

IUPAC3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H14BrF2NO2/c20-18-17(25-12-13-4-6-15(21)7-5-13)8-9-23(19(18)24)11-14-2-1-3-16(22)10-14/h1-10H,11-12H2
InChIKeyPYJZBBGMYAYLMC-UHFFFAOYSA-N
MW406.23 g/mol
LogP4.52
Rot. Bonds5

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

3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 10194381) has the molecular formula C19H14BrF2NO2 and a molecular weight of 406.23 g/mol. Its IUPAC name is 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
PubChem CID10194381
Molecular FormulaC19H14BrF2NO2
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H14BrF2NO2/c20-18-17(25-12-13-4-6-15(21)7-5-13)8-9-23(19(18)24)11-14-2-1-3-16(22)10-14/h1-10H,11-12H2
InChIKeyPYJZBBGMYAYLMC-UHFFFAOYSA-N
XLogP4.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-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-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one (CID 10194381) is 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is PYJZBBGMYAYLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2NO2/c20-18-17(25-12-13-4-6-15(21)7-5-13)8-9-23(19(18)24)11-14-2-1-3-16(22)10-14/h1-10H,11-12H2.
What are the key properties of 3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 406.23 g/mol, XLogP of 4.52, 5 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-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 10194381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).