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

C25H19BrFNO2 — CID 11259806

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2-c2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C25H19BrFNO2/c26-24-23(13-14-28(25(24)29)16-18-7-6-11-21(27)15-18)30-17-20-10-4-5-12-22(20)19-8-2-1-3-9-19/h1-15H,16-17H2
InChIKeyXFADIGSYXIBBKD-UHFFFAOYSA-N
MW464.33 g/mol
LogP6.04
Rot. Bonds6

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

3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one (PubChem CID 11259806) has the molecular formula C25H19BrFNO2 and a molecular weight of 464.33 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
PubChem CID11259806
Molecular FormulaC25H19BrFNO2
Molecular Weight464.33 g/mol
Exact Mass463.06
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2-c2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C25H19BrFNO2/c26-24-23(13-14-28(25(24)29)16-18-7-6-11-21(27)15-18)30-17-20-10-4-5-12-22(20)19-8-2-1-3-9-19/h1-15H,16-17H2
InChIKeyXFADIGSYXIBBKD-UHFFFAOYSA-N
XLogP6.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.33
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one (CID 11259806) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one is O=c1c(Br)c(OCc2ccccc2-c2ccccc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one?
The InChIKey is XFADIGSYXIBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrFNO2/c26-24-23(13-14-28(25(24)29)16-18-7-6-11-21(27)15-18)30-17-20-10-4-5-12-22(20)19-8-2-1-3-9-19/h1-15H,16-17H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one has a molecular weight of 464.33 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 11259806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).