(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate

C24H16N2O6 — CID 42969272

IUPAC(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C24H16N2O6/c27-20(25-21(28)15-6-2-1-3-7-15)14-32-24(31)16-10-12-17(13-11-16)26-22(29)18-8-4-5-9-19(18)23(26)30/h1-13H,14H2,(H,25,27,28)
InChIKeyXBDIYUMGKIAPEK-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.60
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate

(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 42969272) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID42969272
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Name(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C24H16N2O6/c27-20(25-21(28)15-6-2-1-3-7-15)14-32-24(31)16-10-12-17(13-11-16)26-22(29)18-8-4-5-9-19(18)23(26)30/h1-13H,14H2,(H,25,27,28)
InChIKeyXBDIYUMGKIAPEK-UHFFFAOYSA-N
XLogP2.60
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500624
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2447871
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 18074325
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500646
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 4802391
(2-benzamido-2-oxoethyl) 4-acetamidobenzoate
CID 7949820
[2-(4-ethylphenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1332079
(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
CID 7488796
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2598527
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16591605

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate (CID 42969272) is (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate is O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is XBDIYUMGKIAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6/c27-20(25-21(28)15-6-2-1-3-7-15)14-32-24(31)16-10-12-17(13-11-16)26-22(29)18-8-4-5-9-19(18)23(26)30/h1-13H,14H2,(H,25,27,28).
What are the key properties of (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate?
(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 428.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 42969272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).