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

C22H16N2O4 — CID 110352322

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H16N2O4/c1-28-19-9-5-4-8-18(19)20(25)23-14-10-12-15(13-11-14)24-21(26)16-6-2-3-7-17(16)22(24)27/h2-13H,1H3,(H,23,25)
InChIKeyLNYQLHFFXNDTSC-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.75
Rot. Bonds4

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

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 110352322) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
PubChem CID110352322
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H16N2O4/c1-28-19-9-5-4-8-18(19)20(25)23-14-10-12-15(13-11-14)24-21(26)16-6-2-3-7-17(16)22(24)27/h2-13H,1H3,(H,23,25)
InChIKeyLNYQLHFFXNDTSC-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.75
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

2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1396395
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
CID 22776594

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide (CID 110352322) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is LNYQLHFFXNDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-28-19-9-5-4-8-18(19)20(25)23-14-10-12-15(13-11-14)24-21(26)16-6-2-3-7-17(16)22(24)27/h2-13H,1H3,(H,23,25).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 110352322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).