(1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate

C16H10BrNO4 — CID 163201315

IUPAC(1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10BrNO4/c17-11-7-5-10(6-8-11)9-14(19)22-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKeyNSABVBTUEAUHAO-UHFFFAOYSA-N
MW360.16 g/mol
LogP2.75
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate

(1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate (PubChem CID 163201315) has the molecular formula C16H10BrNO4 and a molecular weight of 360.16 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate
PubChem CID163201315
Molecular FormulaC16H10BrNO4
Molecular Weight360.16 g/mol
Exact Mass358.98
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10BrNO4/c17-11-7-5-10(6-8-11)9-14(19)22-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKeyNSABVBTUEAUHAO-UHFFFAOYSA-N
XLogP2.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate (CID 163201315) is (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate is O=C(Cc1ccc(Br)cc1)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate?
The InChIKey is NSABVBTUEAUHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO4/c17-11-7-5-10(6-8-11)9-14(19)22-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate?
(1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate has a molecular weight of 360.16 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 2-(4-bromophenyl)acetate is sourced from PubChem (CID 163201315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).