N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide

C23H18N2O5 — CID 9096856

IUPACN-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(OC)c1
InChIInChI=1S/C23H18N2O5/c1-29-17-11-15(12-18(13-17)30-2)24-21(26)14-7-9-16(10-8-14)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-13H,1-2H3,(H,24,26)
InChIKeyWMYBPMOTHNMMBH-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.76
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide

N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 9096856) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID9096856
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(OC)c1
InChIInChI=1S/C23H18N2O5/c1-29-17-11-15(12-18(13-17)30-2)24-21(26)14-7-9-16(10-8-14)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-13H,1-2H3,(H,24,26)
InChIKeyWMYBPMOTHNMMBH-UHFFFAOYSA-N
XLogP3.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
methyl 2-[4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]phenoxy]acetate
CID 4581069
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
CID 1354596
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108767009
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
CID 1026126
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 9096856) is N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide is COc1cc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is WMYBPMOTHNMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-29-17-11-15(12-18(13-17)30-2)24-21(26)14-7-9-16(10-8-14)25-22(27)19-5-3-4-6-20(19)23(25)28/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 402.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 9096856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).