4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide

C22H16N2O3 — CID 2995396

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H16N2O3/c25-20(23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-24-21(26)18-8-4-5-9-19(18)22(24)27/h1-13H,14H2,(H,23,25)
InChIKeySMHURHHTMBAIGV-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.74
Rot. Bonds4

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide (PubChem CID 2995396) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
PubChem CID2995396
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H16N2O3/c25-20(23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-24-21(26)18-8-4-5-9-19(18)22(24)27/h1-13H,14H2,(H,23,25)
InChIKeySMHURHHTMBAIGV-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.74
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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329840
2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
CID 17342168
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55985027
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 32700452
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 7897314

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide (CID 2995396) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide?
The InChIKey is SMHURHHTMBAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-20(23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-24-21(26)18-8-4-5-9-19(18)22(24)27/h1-13H,14H2,(H,23,25).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide has a molecular weight of 356.38 g/mol, XLogP of 3.74, 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)methyl]-N-phenylbenzamide is sourced from PubChem (CID 2995396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).