1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one

C25H20BrNO2 — CID 71469399

IUPAC1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C25H20BrNO2/c26-23-24(29-18-20-12-6-2-7-13-20)22(21-14-8-3-9-15-21)17-27(25(23)28)16-19-10-4-1-5-11-19/h1-15,17H,16,18H2
InChIKeyBIYYNTFFRGZXKP-UHFFFAOYSA-N
MW446.34 g/mol
LogP5.91
Rot. Bonds6

About 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one

1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one (PubChem CID 71469399) has the molecular formula C25H20BrNO2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one
PubChem CID71469399
Molecular FormulaC25H20BrNO2
Molecular Weight446.34 g/mol
Exact Mass445.07
IUPAC Name1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C25H20BrNO2/c26-23-24(29-18-20-12-6-2-7-13-20)22(21-14-8-3-9-15-21)17-27(25(23)28)16-19-10-4-1-5-11-19/h1-15,17H,16,18H2
InChIKeyBIYYNTFFRGZXKP-UHFFFAOYSA-N
XLogP5.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.34
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
CID 14241243
5-bromo-3-[(4-bromophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090138
2-benzyl-4-phenyl-[1]benzofuro[2,3-c]pyridin-1-one
CID 15418266
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(2-phenylphenyl)methyl]pyridin-2-one
CID 11202094
1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
CID 76850860
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
CID 11259806
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one (CID 71469399) is 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one is O=c1c(Br)c(OCc2ccccc2)c(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one?
The InChIKey is BIYYNTFFRGZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO2/c26-23-24(29-18-20-12-6-2-7-13-20)22(21-14-8-3-9-15-21)17-27(25(23)28)16-19-10-4-1-5-11-19/h1-15,17H,16,18H2.
What are the key properties of 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one?
1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one has a molecular weight of 446.34 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-5-phenyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71469399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).