N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide

C23H18N2O5 — CID 1026126

IUPACN-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C23H18N2O5/c1-29-16-11-14(12-17(13-16)30-2)21(26)24-19-10-6-9-18-20(19)23(28)25(22(18)27)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,26)
InChIKeyWJNMHKWLFWZJIM-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.76
Rot. Bonds5

About N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide

N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide (PubChem CID 1026126) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
PubChem CID1026126
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C23H18N2O5/c1-29-16-11-14(12-17(13-16)30-2)21(26)24-19-10-6-9-18-20(19)23(28)25(22(18)27)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,26)
InChIKeyWJNMHKWLFWZJIM-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

N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1238748
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
CID 1041271
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 5028313
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
N-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide
CID 22779455
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide (CID 1026126) is N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide?
The InChIKey is WJNMHKWLFWZJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-29-16-11-14(12-17(13-16)30-2)21(26)24-19-10-6-9-18-20(19)23(28)25(22(18)27)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide?
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide 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-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 1026126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).