methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate

C19H16FNO4 — CID 151410785

IUPACmethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)[C@](C)(Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16FNO4/c1-19(18(24)25-2,11-12-7-9-13(20)10-8-12)21-16(22)14-5-3-4-6-15(14)17(21)23/h3-10H,11H2,1-2H3/t19-/m0/s1
InChIKeyOYMAOKCOBGHOHM-IBGZPJMESA-N
MW341.34 g/mol
LogP2.60
Rot. Bonds4

About methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate

methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate (PubChem CID 151410785) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate
PubChem CID151410785
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Namemethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)[C@](C)(Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16FNO4/c1-19(18(24)25-2,11-12-7-9-13(20)10-8-12)21-16(22)14-5-3-4-6-15(14)17(21)23/h3-10H,11H2,1-2H3/t19-/m0/s1
InChIKeyOYMAOKCOBGHOHM-IBGZPJMESA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.60
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 methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate?
The IUPAC name of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate (CID 151410785) is methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate is COC(=O)[C@](C)(Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate?
The InChIKey is OYMAOKCOBGHOHM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16FNO4/c1-19(18(24)25-2,11-12-7-9-13(20)10-8-12)21-16(22)14-5-3-4-6-15(14)17(21)23/h3-10H,11H2,1-2H3/t19-/m0/s1.
What are the key properties of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate?
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate has a molecular weight of 341.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 151410785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).