4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide

C23H18N2O3 — CID 1188829

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c1-2-15-7-11-17(12-8-15)24-21(26)16-9-13-18(14-10-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-14H,2H2,1H3,(H,24,26)
InChIKeyGNBCLDBBVXVEHB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.30
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide

4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide (PubChem CID 1188829) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
PubChem CID1188829
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c1-2-15-7-11-17(12-8-15)24-21(26)16-9-13-18(14-10-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-14H,2H2,1H3,(H,24,26)
InChIKeyGNBCLDBBVXVEHB-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108762001
methyl 2-[4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]phenoxy]acetate
CID 4581069
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide (CID 1188829) is 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide?
The InChIKey is GNBCLDBBVXVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-2-15-7-11-17(12-8-15)24-21(26)16-9-13-18(14-10-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 1188829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).