4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide

C23H18N2O3 — CID 168516849

IUPAC4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c1-24(2)21(26)17-9-7-15(8-10-17)16-11-13-18(14-12-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-14H,1-2H3
InChIKeyJLNQBEVLCHYTLV-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.86
Rot. Bonds3

About 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide

4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide (PubChem CID 168516849) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
PubChem CID168516849
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c1-24(2)21(26)17-9-7-15(8-10-17)16-11-13-18(14-12-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-14H,1-2H3
InChIKeyJLNQBEVLCHYTLV-UHFFFAOYSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 139070471
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
propan-2-yl 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzoate
CID 168517843
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 60682223
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 25162408
(2-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1217603
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide (CID 168516849) is 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is JLNQBEVLCHYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-24(2)21(26)17-9-7-15(8-10-17)16-11-13-18(14-12-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-14H,1-2H3.
What are the key properties of 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide?
4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 370.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 168516849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).