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

C17H12FNO4 — CID 5022577

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12FNO4/c18-14-8-4-1-5-11(14)9-15(20)23-10-19-16(21)12-6-2-3-7-13(12)17(19)22/h1-8H,9-10H2
InChIKeyJRLHVPWUGXCIHO-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.17
Rot. Bonds4

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

(1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate (PubChem CID 5022577) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate
PubChem CID5022577
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12FNO4/c18-14-8-4-1-5-11(14)9-15(20)23-10-19-16(21)12-6-2-3-7-13(12)17(19)22/h1-8H,9-10H2
InChIKeyJRLHVPWUGXCIHO-UHFFFAOYSA-N
XLogP2.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.17
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)methyl 2-(2-fluorophenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate (CID 5022577) is (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate?
The InChIKey is JRLHVPWUGXCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-14-8-4-1-5-11(14)9-15(20)23-10-19-16(21)12-6-2-3-7-13(12)17(19)22/h1-8H,9-10H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-(2-fluorophenyl)acetate has a molecular weight of 313.28 g/mol, XLogP of 2.17, 4 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)methyl 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 5022577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).