3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one

C20H16BrNO2 — CID 44531214

IUPAC3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(C(=O)c3ccccc3)cc2)c(=O)c1Br
InChIInChI=1S/C20H16BrNO2/c1-12-17(20(24)18(21)13(2)22-12)14-8-10-16(11-9-14)19(23)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,22,24)
InChIKeyIWECXXZNPDTNOF-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.65
Rot. Bonds3

About 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one

3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44531214) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44531214
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(C(=O)c3ccccc3)cc2)c(=O)c1Br
InChIInChI=1S/C20H16BrNO2/c1-12-17(20(24)18(21)13(2)22-12)14-8-10-16(11-9-14)19(23)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,22,24)
InChIKeyIWECXXZNPDTNOF-UHFFFAOYSA-N
XLogP4.65
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one (CID 44531214) is 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(C(=O)c3ccccc3)cc2)c(=O)c1Br.
What is the InChIKey of 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is IWECXXZNPDTNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2/c1-12-17(20(24)18(21)13(2)22-12)14-8-10-16(11-9-14)19(23)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,22,24).
What are the key properties of 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one?
3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 382.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44531214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).