N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide

C23H18N2O4 — CID 142452689

IUPACN-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C23H18N2O4/c1-29-20-10-6-5-9-18(20)21(26)24-16-11-12-17-19(13-16)23(28)25(22(17)27)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)
InChIKeyCFQMPSXYEORCHX-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.74
Rot. Bonds5

About N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide

N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide (PubChem CID 142452689) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
PubChem CID142452689
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C23H18N2O4/c1-29-20-10-6-5-9-18(20)21(26)24-16-11-12-17-19(13-16)23(28)25(22(17)27)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)
InChIKeyCFQMPSXYEORCHX-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.74
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

N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 1026498
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 38451540
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 55422215
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide (CID 142452689) is N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
The InChIKey is CFQMPSXYEORCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-20-10-6-5-9-18(20)21(26)24-16-11-12-17-19(13-16)23(28)25(22(17)27)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide has a molecular weight of 386.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 142452689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).