N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H15N3O4 — CID 973448

IUPACN-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15N3O4/c1-11(22)19-14-8-4-5-9-15(14)20-16(23)10-21-17(24)12-6-2-3-7-13(12)18(21)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyNPLJTIZHOOCVMO-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.88
Rot. Bonds4

About N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 973448) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID973448
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15N3O4/c1-11(22)19-14-8-4-5-9-15(14)20-16(23)10-21-17(24)12-6-2-3-7-13(12)18(21)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyNPLJTIZHOOCVMO-UHFFFAOYSA-N
XLogP1.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 51286975
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 154103917
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 973448) is N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)Nc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is NPLJTIZHOOCVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11(22)19-14-8-4-5-9-15(14)20-16(23)10-21-17(24)12-6-2-3-7-13(12)18(21)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 973448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).