2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione

C14H7BrClNO3 — CID 168517011

IUPAC2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C14H7BrClNO3/c15-10-5-7(6-11(16)12(10)18)17-13(19)8-3-1-2-4-9(8)14(17)20/h1-6,18H
InChIKeyANTCKCDPZGZFNQ-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.61
Rot. Bonds1

About 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione

2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 168517011) has the molecular formula C14H7BrClNO3 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
PubChem CID168517011
Molecular FormulaC14H7BrClNO3
Molecular Weight352.57 g/mol
Exact Mass350.93
IUPAC Name2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C14H7BrClNO3/c15-10-5-7(6-11(16)12(10)18)17-13(19)8-3-1-2-4-9(8)14(17)20/h1-6,18H
InChIKeyANTCKCDPZGZFNQ-UHFFFAOYSA-N
XLogP3.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione
CID 158205454
2-chloro-4-(1,3-dioxoisoindol-2-yl)benzenecarbothioamide
CID 130654578
3-bromo-5-(1,3-dioxoisoindol-2-yl)pyridine-2-carbaldehyde
CID 90281229
2-(7-bromo-1H-indol-5-yl)isoindole-1,3-dione
CID 168517501
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-bromo-5-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 115296034
2-(3-bromo-2-hydroxy-5-methylsulfonylphenyl)isoindole-1,3-dione
CID 118467727
2-[[3-chloro-5-(1,3-dioxoisoindol-2-yl)-4-hydroxyphenyl]methyl]isoindole-1,3-dione
CID 168517217
2-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 22095886
2-(3-chloro-4-nitrophenyl)isoindole-1,3-dione
CID 168515991
2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
CID 168516524
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione (CID 168517011) is 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is ANTCKCDPZGZFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO3/c15-10-5-7(6-11(16)12(10)18)17-13(19)8-3-1-2-4-9(8)14(17)20/h1-6,18H.
What are the key properties of 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione?
2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 352.57 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168517011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).