2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione

C14H5Br2Cl2NO2 — CID 168516524

IUPAC2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C14H5Br2Cl2NO2/c15-10-8(17)5-9(11(16)12(10)18)19-13(20)6-3-1-2-4-7(6)14(19)21/h1-5H
InChIKeyYJBQCYWSRZRGAD-UHFFFAOYSA-N
MW449.91 g/mol
LogP5.32
Rot. Bonds1

About 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione

2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione (PubChem CID 168516524) has the molecular formula C14H5Br2Cl2NO2 and a molecular weight of 449.91 g/mol. Its IUPAC name is 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
PubChem CID168516524
Molecular FormulaC14H5Br2Cl2NO2
Molecular Weight449.91 g/mol
Exact Mass446.81
IUPAC Name2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C14H5Br2Cl2NO2/c15-10-8(17)5-9(11(16)12(10)18)19-13(20)6-3-1-2-4-7(6)14(19)21/h1-5H
InChIKeyYJBQCYWSRZRGAD-UHFFFAOYSA-N
XLogP5.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[2,4-dichloro-5-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 168517976
2-[4-bromo-2-(2-chlorobenzoyl)phenyl]isoindole-1,3-dione
CID 168516269
2-[2-bromo-3,5-bis(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516167
3-bromo-2-chloro-6-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168517197
2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione
CID 19870965
2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
CID 168516145
2-chloro-4-(1,3-dioxoisoindol-2-yl)-5-iodobenzonitrile
CID 168519216
3-chloro-4-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 107808280
2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
CID 168517011
2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519429
2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
CID 18451548

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione (CID 168516524) is 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(Cl)c(Br)c(Cl)c1Br.
What is the InChIKey of 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione?
The InChIKey is YJBQCYWSRZRGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Br2Cl2NO2/c15-10-8(17)5-9(11(16)12(10)18)19-13(20)6-3-1-2-4-7(6)14(19)21/h1-5H.
What are the key properties of 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione?
2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione has a molecular weight of 449.91 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 168516524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).