1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone

C15H11BrClFO — CID 115812770

IUPAC1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H11BrClFO/c1-9-7-11(18)6-5-10(9)8-14(19)12-3-2-4-13(16)15(12)17/h2-7H,8H2,1H3
InChIKeyXZICTMKNRZDMME-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.98
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 115812770) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID115812770
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H11BrClFO/c1-9-7-11(18)6-5-10(9)8-14(19)12-3-2-4-13(16)15(12)17/h2-7H,8H2,1H3
InChIKeyXZICTMKNRZDMME-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
CID 106544675
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812715

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 115812770) is 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(F)ccc1CC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is XZICTMKNRZDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c1-9-7-11(18)6-5-10(9)8-14(19)12-3-2-4-13(16)15(12)17/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 341.61 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 115812770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).