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

C16H10FNO4 — CID 740914

IUPAC(4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H10FNO4/c17-10-5-7-11(8-6-10)22-14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKeyPLOWJNWWTGVGNI-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.03
Rot. Bonds3

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

(4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 740914) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID740914
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name(4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H10FNO4/c17-10-5-7-11(8-6-10)22-14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKeyPLOWJNWWTGVGNI-UHFFFAOYSA-N
XLogP2.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate (CID 740914) is (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is PLOWJNWWTGVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-10-5-7-11(8-6-10)22-14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2.
What are the key properties of (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
(4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 299.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).