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

C18H14N2O4 — CID 721388

IUPACN-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H14N2O4/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-20-17(23)14-7-2-3-8-15(14)18(20)24/h2-9H,10H2,1H3,(H,19,22)
InChIKeyIHPGZDZOETZKGR-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.12
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 721388) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID721388
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H14N2O4/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-20-17(23)14-7-2-3-8-15(14)18(20)24/h2-9H,10H2,1H3,(H,19,22)
InChIKeyIHPGZDZOETZKGR-UHFFFAOYSA-N
XLogP2.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pomalidomide
CID 134780
Lenalidomide
CID 216326
N-Phenylphthalimide
CID 68215
ML SA1
CID 2880983
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
Pomalidomide, (S)-
CID 9965330
Lenalidomide, (S)-
CID 12044976
SF-51
CID 1219451
1-Phenethylindoline-2,3-dione
CID 1894707

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 721388) is N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is IHPGZDZOETZKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-20-17(23)14-7-2-3-8-15(14)18(20)24/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 322.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 721388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).