[(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate

C24H16FNO6 — CID 126309214

IUPAC[(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
SMILESO=C(O[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H16FNO6/c25-17-13-7-8-14-18(17)26-21(27)19(31-23(29)15-9-3-1-4-10-15)20(22(26)28)32-24(30)16-11-5-2-6-12-16/h1-14,19-20H/t19-,20-/m1/s1
InChIKeyGNYHGMHQQIOVJT-WOJBJXKFSA-N
MW433.39 g/mol
LogP3.15
Rot. Bonds5

About [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate

[(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate (PubChem CID 126309214) has the molecular formula C24H16FNO6 and a molecular weight of 433.39 g/mol. Its IUPAC name is [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate.

Molecular Properties

Compound Name[(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
PubChem CID126309214
Molecular FormulaC24H16FNO6
Molecular Weight433.39 g/mol
Exact Mass433.10
IUPAC Name[(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
SMILESO=C(O[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H16FNO6/c25-17-13-7-8-14-18(17)26-21(27)19(31-23(29)15-9-3-1-4-10-15)20(22(26)28)32-24(30)16-11-5-2-6-12-16/h1-14,19-20H/t19-,20-/m1/s1
InChIKeyGNYHGMHQQIOVJT-WOJBJXKFSA-N
XLogP3.15
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R)-4-benzoyloxy-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126284826
[(3R,4R)-4-benzoyloxy-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126306160
[(3S,4S)-4-benzoyloxy-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126306170
[(3S,4S)-4-benzoyloxy-1-(3-iodophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126301093
[(3R,4S)-4-benzoyloxy-1-[4-(dimethylamino)phenyl]-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126295440
[(3S,4R)-4-benzoyloxy-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126313618
[(3R,4R)-4-benzoyloxy-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126299270
[4-[(3R,3aS,6aS)-5-(2-fluorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
CID 6586271
(3aR,4S,7R,7aR)-2-(2-fluorophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11892286
[(3R,4R)-4-benzoyloxy-1-(2-ethoxy-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 1020607
(3aR,4S,8aR,8bS)-4-benzoyl-2-(2-fluorophenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 7554329
(1R,2R,6S,7S,8S,11R)-4-(2-fluorophenyl)-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 101188190

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate?
The IUPAC name of [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate (CID 126309214) is [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate.
What is the SMILES notation for [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate?
The canonical SMILES for [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate is O=C(O[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate?
The InChIKey is GNYHGMHQQIOVJT-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H16FNO6/c25-17-13-7-8-14-18(17)26-21(27)19(31-23(29)15-9-3-1-4-10-15)20(22(26)28)32-24(30)16-11-5-2-6-12-16/h1-14,19-20H/t19-,20-/m1/s1.
What are the key properties of [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate?
[(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate has a molecular weight of 433.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-benzoyloxy-1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate is sourced from PubChem (CID 126309214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).