[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C18H14FNO4 — CID 7763359

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESC[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-11(12-6-8-13(19)9-7-12)24-16(21)10-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyVRXCXHZGQAVKRY-LLVKDONJSA-N
MW327.31 g/mol
LogP2.73
Rot. Bonds4

About [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 7763359) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID7763359
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESC[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-11(12-6-8-13(19)9-7-12)24-16(21)10-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyVRXCXHZGQAVKRY-LLVKDONJSA-N
XLogP2.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.73
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

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951318
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7120970
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763826
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 9418213
N-[1-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135586
[(1R)-1-(4-fluorophenyl)ethyl] 3-phenothiazin-10-ylpropanoate
CID 2524191
1-(4-fluorophenyl)ethyl 3-phenothiazin-10-ylpropanoate
CID 4969584
[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7663759
[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 5194640
triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 16684771

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 7763359) is [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is VRXCXHZGQAVKRY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-11(12-6-8-13(19)9-7-12)24-16(21)10-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 327.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 7763359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).