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

C16H10ClNO4 — CID 132785401

IUPAC(1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10ClNO4/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
InChIKeyPRPOKJGWRJNQJB-UHFFFAOYSA-N
MW315.71 g/mol
LogP2.64
Rot. Bonds3

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

(1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate (PubChem CID 132785401) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate
PubChem CID132785401
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10ClNO4/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
InChIKeyPRPOKJGWRJNQJB-UHFFFAOYSA-N
XLogP2.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 52.64
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-chlorophenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate (CID 132785401) is (1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate?
The InChIKey is PRPOKJGWRJNQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/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-chlorophenyl)acetate?
(1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate has a molecular weight of 315.71 g/mol, XLogP of 2.64, 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-chlorophenyl)acetate is sourced from PubChem (CID 132785401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).