2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione

C15H8BrCl2NO2 — CID 19870965

IUPAC2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(CBr)c(Cl)c1Cl
InChIInChI=1S/C15H8BrCl2NO2/c16-7-8-5-6-11(13(18)12(8)17)19-14(20)9-3-1-2-4-10(9)15(19)21/h1-6H,7H2
InChIKeyIDRYDCZQXLMYFX-UHFFFAOYSA-N
MW385.04 g/mol
LogP4.69
Rot. Bonds2

About 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione

2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione (PubChem CID 19870965) has the molecular formula C15H8BrCl2NO2 and a molecular weight of 385.04 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione
PubChem CID19870965
Molecular FormulaC15H8BrCl2NO2
Molecular Weight385.04 g/mol
Exact Mass382.91
IUPAC Name2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(CBr)c(Cl)c1Cl
InChIInChI=1S/C15H8BrCl2NO2/c16-7-8-5-6-11(13(18)12(8)17)19-14(20)9-3-1-2-4-10(9)15(19)21/h1-6H,7H2
InChIKeyIDRYDCZQXLMYFX-UHFFFAOYSA-N
XLogP4.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.04
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
CID 11688576
2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
CID 168516524
3-bromo-2-chloro-6-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168517197
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
3-chloro-4-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 107808280
2-(2-hexylphenyl)isoindole-1,3-dione
CID 10638446
2-(2,3-diethylphenyl)isoindole-1,3-dione
CID 67993045
2-(3-chloro-2-propoxyphenyl)isoindole-1,3-dione
CID 168516946
2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
CID 168517760
2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
CID 18451548
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione (CID 19870965) is 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(CBr)c(Cl)c1Cl.
What is the InChIKey of 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione?
The InChIKey is IDRYDCZQXLMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO2/c16-7-8-5-6-11(13(18)12(8)17)19-14(20)9-3-1-2-4-10(9)15(19)21/h1-6H,7H2.
What are the key properties of 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione?
2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione has a molecular weight of 385.04 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione is sourced from PubChem (CID 19870965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).