2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol

C28H17Br2Cl4F2NO3 — CID 158829107

IUPAC2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol
SMILESO=C(Cc1cc(Cl)ccc1Br)c1c(O)cc(Cl)cc1F.[H]/N=C(\Cc1cc(Cl)ccc1Br)c1c(O)cc(Cl)cc1F
InChIInChI=1S/C14H9BrCl2FNO.C14H8BrCl2FO2/c2*15-10-2-1-8(16)3-7(10)4-12(19)14-11(18)5-9(17)6-13(14)20/h1-3,5-6,19-20H,4H2;1-3,5-6,20H,4H2/b19-12+;
InChIKeyIWVAKLVRTUNMIR-NNTHFVATSA-N
MW755.06 g/mol
LogP10.24
Rot. Bonds6

About 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol

2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol (PubChem CID 158829107) has the molecular formula C28H17Br2Cl4F2NO3 and a molecular weight of 755.06 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol
PubChem CID158829107
Molecular FormulaC28H17Br2Cl4F2NO3
Molecular Weight755.06 g/mol
Exact Mass750.83
IUPAC Name2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol
SMILESO=C(Cc1cc(Cl)ccc1Br)c1c(O)cc(Cl)cc1F.[H]/N=C(\Cc1cc(Cl)ccc1Br)c1c(O)cc(Cl)cc1F
InChIInChI=1S/C14H9BrCl2FNO.C14H8BrCl2FO2/c2*15-10-2-1-8(16)3-7(10)4-12(19)14-11(18)5-9(17)6-13(14)20/h1-3,5-6,19-20H,4H2;1-3,5-6,20H,4H2/b19-12+;
InChIKeyIWVAKLVRTUNMIR-NNTHFVATSA-N
XLogP10.24
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.06
LogP ≤ 510.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol 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-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone
CID 123183596
2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol
CID 144993634
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(2-bromo-5-chlorophenyl)acetaldehyde
CID 66159966
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130777818
2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone
CID 84807436
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 84811946
1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
CID 174781443
1-(5-bromothiophen-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 105135631
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol (CID 158829107) is 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol is O=C(Cc1cc(Cl)ccc1Br)c1c(O)cc(Cl)cc1F.[H]/N=C(\Cc1cc(Cl)ccc1Br)c1c(O)cc(Cl)cc1F.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol?
The InChIKey is IWVAKLVRTUNMIR-NNTHFVATSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO.C14H8BrCl2FO2/c2*15-10-2-1-8(16)3-7(10)4-12(19)14-11(18)5-9(17)6-13(14)20/h1-3,5-6,19-20H,4H2;1-3,5-6,20H,4H2/b19-12+;.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol?
2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol has a molecular weight of 755.06 g/mol, XLogP of 10.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol is sourced from PubChem (CID 158829107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).