1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one

C21H18BrNO — CID 123290387

IUPAC1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one
SMILESCc1ccccc1C(C(=O)Cc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrNO/c1-15-4-2-3-5-19(15)21(17-6-8-18(22)9-7-17)20(24)14-16-10-12-23-13-11-16/h2-13,21H,14H2,1H3
InChIKeyLZNUAPRHUUZJDD-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.10
Rot. Bonds5

About 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one

1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one (PubChem CID 123290387) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one
PubChem CID123290387
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one
SMILESCc1ccccc1C(C(=O)Cc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrNO/c1-15-4-2-3-5-19(15)21(17-6-8-18(22)9-7-17)20(24)14-16-10-12-23-13-11-16/h2-13,21H,14H2,1H3
InChIKeyLZNUAPRHUUZJDD-UHFFFAOYSA-N
XLogP5.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(2-methylphenyl)-3-(2,3,5-trifluorophenyl)propan-2-one
CID 123573993
1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
CID 15504285
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-1-[3-(4-methylsulfonylphenyl)phenyl]propan-2-one
CID 123612473
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene
CID 142171176

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one (CID 123290387) is 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one is Cc1ccccc1C(C(=O)Cc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is LZNUAPRHUUZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-15-4-2-3-5-19(15)21(17-6-8-18(22)9-7-17)20(24)14-16-10-12-23-13-11-16/h2-13,21H,14H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one?
1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 380.29 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 123290387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).