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

C23H18N2O4 — CID 17171662

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C23H18N2O4/c1-29-18-11-9-15(10-12-18)14-24-21(26)16-5-4-6-17(13-16)25-22(27)19-7-2-3-8-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyVIKKWCHARZYALV-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.43
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 17171662) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID17171662
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C23H18N2O4/c1-29-18-11-9-15(10-12-18)14-24-21(26)16-5-4-6-17(13-16)25-22(27)19-7-2-3-8-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyVIKKWCHARZYALV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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

3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4863732
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide (CID 17171662) is 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is VIKKWCHARZYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-18-11-9-15(10-12-18)14-24-21(26)16-5-4-6-17(13-16)25-22(27)19-7-2-3-8-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17171662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).