4-amino-2-benzyl-7-methylisoindole-1,3-dione

C16H14N2O2 — CID 176943897

IUPAC4-amino-2-benzyl-7-methylisoindole-1,3-dione
SMILESCc1ccc(N)c2c1C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C16H14N2O2/c1-10-7-8-12(17)14-13(10)15(19)18(16(14)20)9-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3
InChIKeyLZKLKYJSQHHCTI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.37
Rot. Bonds2

About 4-amino-2-benzyl-7-methylisoindole-1,3-dione

4-amino-2-benzyl-7-methylisoindole-1,3-dione (PubChem CID 176943897) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-2-benzyl-7-methylisoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-benzyl-7-methylisoindole-1,3-dione
PubChem CID176943897
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-amino-2-benzyl-7-methylisoindole-1,3-dione
SMILESCc1ccc(N)c2c1C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C16H14N2O2/c1-10-7-8-12(17)14-13(10)15(19)18(16(14)20)9-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3
InChIKeyLZKLKYJSQHHCTI-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103429560
2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103430526
2-[(4-amino-3-methylphenyl)methyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 139672848
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
1-benzyl-3-(3,4-dimethylphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110548758
2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
CID 103429602
2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
CID 12958495
1-benzyl-3,4-bis(1,2-dimethylindol-3-yl)pyrrole-2,5-dione
CID 101396833
2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103430970
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzyl-7-methylisoindole-1,3-dione?
The IUPAC name of 4-amino-2-benzyl-7-methylisoindole-1,3-dione (CID 176943897) is 4-amino-2-benzyl-7-methylisoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-benzyl-7-methylisoindole-1,3-dione?
The canonical SMILES for 4-amino-2-benzyl-7-methylisoindole-1,3-dione is Cc1ccc(N)c2c1C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 4-amino-2-benzyl-7-methylisoindole-1,3-dione?
The InChIKey is LZKLKYJSQHHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-8-12(17)14-13(10)15(19)18(16(14)20)9-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3.
What are the key properties of 4-amino-2-benzyl-7-methylisoindole-1,3-dione?
4-amino-2-benzyl-7-methylisoindole-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzyl-7-methylisoindole-1,3-dione is sourced from PubChem (CID 176943897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).