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

C16H10FNO4 — CID 163201314

IUPAC(1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10FNO4/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
InChIKeyXEGMCMDUIYSJBC-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.12
Rot. Bonds3

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

(1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate (PubChem CID 163201314) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate
PubChem CID163201314
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10FNO4/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
InChIKeyXEGMCMDUIYSJBC-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyloxyphthalimide
CID 255292
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl cyclohexanecarboxylate
CID 704835
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl benzoate
CID 792579
(1,3-Dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate
CID 5022577
(1,3-Dioxoisoindolin-2-yl)methyl cyclohexanecarboxylate
CID 895881
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylbutanoic acid
CID 3534703
2-(2-oxo-2-phenylethoxy)-1H-isoindole-1,3(2H)-dione
CID 322778
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate
CID 265566
1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2,2-dimethylpropanoate
CID 789654
(1,3-Dioxoisoindol-2-yl)methyl 2-(4-fluorophenyl)acetate
CID 7759106
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-fluoro-phenyl)-propionic acid
CID 3816170
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-phenylpropanoate
CID 3693673

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate (CID 163201314) is (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate?
The InChIKey is XEGMCMDUIYSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/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-fluorophenyl)acetate?
(1,3-dioxoisoindol-2-yl) 2-(4-fluorophenyl)acetate has a molecular weight of 299.26 g/mol, XLogP of 2.12, 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-fluorophenyl)acetate is sourced from PubChem (CID 163201314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).