2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione

C17H14BrNO2 — CID 103430526

IUPAC2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(Cc1ccc(Br)cc1)C2=O
InChIInChI=1S/C17H14BrNO2/c1-10-3-4-11(2)15-14(10)16(20)19(17(15)21)9-12-5-7-13(18)8-6-12/h3-8H,9H2,1-2H3
InChIKeyLDTFCXBHGIEUOY-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.86
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione

2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430526) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
PubChem CID103430526
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(Cc1ccc(Br)cc1)C2=O
InChIInChI=1S/C17H14BrNO2/c1-10-3-4-11(2)15-14(10)16(20)19(17(15)21)9-12-5-7-13(18)8-6-12/h3-8H,9H2,1-2H3
InChIKeyLDTFCXBHGIEUOY-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.86
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

4-amino-2-benzyl-7-methylisoindole-1,3-dione
CID 176943897
2-[(4-amino-3-methylphenyl)methyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 139672848
2-[(3-aminophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103429560
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
CID 103429602
2-[[4-(aminomethyl)phenyl]methyl]-5-bromoisoindole-1,3-dione
CID 79689854
5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
CID 79355957
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
1-[(4-bromophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 54970796
2-(3-hydroxypropyl)-4,7-dimethylisoindole-1,3-dione
CID 103430866
2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103430970

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione (CID 103430526) is 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(Cc1ccc(Br)cc1)C2=O.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione?
The InChIKey is LDTFCXBHGIEUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-10-3-4-11(2)15-14(10)16(20)19(17(15)21)9-12-5-7-13(18)8-6-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione?
2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione has a molecular weight of 344.21 g/mol, XLogP of 3.86, 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]-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).