2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone

C15H11BrClFO2 — CID 64713786

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc(Cl)c2F)cc1Br
InChIInChI=1S/C15H11BrClFO2/c1-20-14-6-5-9(7-11(14)16)8-13(19)10-3-2-4-12(17)15(10)18/h2-7H,8H2,1H3
InChIKeyCSNYXTKWJXXDRU-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.68
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 64713786) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
PubChem CID64713786
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc(Cl)c2F)cc1Br
InChIInChI=1S/C15H11BrClFO2/c1-20-14-6-5-9(7-11(14)16)8-13(19)10-3-2-4-12(17)15(10)18/h2-7H,8H2,1H3
InChIKeyCSNYXTKWJXXDRU-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966188
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
1-(3-chloro-2-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64714500

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone (CID 64713786) is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone is COc1ccc(CC(=O)c2cccc(Cl)c2F)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is CSNYXTKWJXXDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-20-14-6-5-9(7-11(14)16)8-13(19)10-3-2-4-12(17)15(10)18/h2-7H,8H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 357.61 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 64713786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).