2-[(4-bromophenyl)methyl]isoindole-1,3-dione

C15H10BrNO2 — CID 893620

IUPAC2-[(4-bromophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
InChIKeyOEIUKCOEPYIPFD-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.25
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]isoindole-1,3-dione

2-[(4-bromophenyl)methyl]isoindole-1,3-dione (PubChem CID 893620) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]isoindole-1,3-dione
PubChem CID893620
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name2-[(4-bromophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
InChIKeyOEIUKCOEPYIPFD-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methylphthalimide
CID 11074
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109
N-Cyclohexylphthalimide
CID 225739
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
2-Benzylisoindolin-1-one
CID 1485883
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-bromophenyl)methyl]isoindole-1,3-dione (CID 893620) is 2-[(4-bromophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-bromophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]isoindole-1,3-dione?
The InChIKey is OEIUKCOEPYIPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2.
What are the key properties of 2-[(4-bromophenyl)methyl]isoindole-1,3-dione?
2-[(4-bromophenyl)methyl]isoindole-1,3-dione has a molecular weight of 316.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 893620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).