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

C20H18BrNO2 — CID 10287295

IUPAC3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESCc1ccc(Cn2ccc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C20H18BrNO2/c1-15-7-9-16(10-8-15)13-22-12-11-18(19(21)20(22)23)24-14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3
InChIKeyBWAIGBSRLWMORZ-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.55
Rot. Bonds5

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

3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one (PubChem CID 10287295) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
PubChem CID10287295
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESCc1ccc(Cn2ccc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C20H18BrNO2/c1-15-7-9-16(10-8-15)13-22-12-11-18(19(21)20(22)23)24-14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3
InChIKeyBWAIGBSRLWMORZ-UHFFFAOYSA-N
XLogP4.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 10151181
1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
CID 10173044
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
CID 143008403
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(2-phenylphenyl)methyl]pyridin-2-one
CID 11202094
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1-benzyl-3-[2-(4-bromophenyl)ethynyl]-4-phenylmethoxypyridin-2-one
CID 58608142
3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one
CID 143008418
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
CID 11259806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one (CID 10287295) is 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one is Cc1ccc(Cn2ccc(OCc3ccccc3)c(Br)c2=O)cc1.
What is the InChIKey of 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is BWAIGBSRLWMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-15-7-9-16(10-8-15)13-22-12-11-18(19(21)20(22)23)24-14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3.
What are the key properties of 3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 384.27 g/mol, XLogP of 4.55, 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-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10287295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).