N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide

C23H16N2O4 — CID 2334745

IUPACN-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H16N2O4/c1-14(26)24(13-25-22(27)18-7-2-3-8-19(18)23(25)28)15-10-11-17-16-6-4-5-9-20(16)29-21(17)12-15/h2-12H,13H2,1H3
InChIKeyYBGBJQKGVRRENL-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.19
Rot. Bonds3

About N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide

N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide (PubChem CID 2334745) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide
PubChem CID2334745
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC NameN-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H16N2O4/c1-14(26)24(13-25-22(27)18-7-2-3-8-19(18)23(25)28)15-10-11-17-16-6-4-5-9-20(16)29-21(17)12-15/h2-12H,13H2,1H3
InChIKeyYBGBJQKGVRRENL-UHFFFAOYSA-N
XLogP4.19
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.19
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 N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide?
The IUPAC name of N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide (CID 2334745) is N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide is CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide?
The InChIKey is YBGBJQKGVRRENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-14(26)24(13-25-22(27)18-7-2-3-8-19(18)23(25)28)15-10-11-17-16-6-4-5-9-20(16)29-21(17)12-15/h2-12H,13H2,1H3.
What are the key properties of N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide?
N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[(1,3-dioxoisoindol-2-yl)methyl]acetamide is sourced from PubChem (CID 2334745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).