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4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide

C24H24N2O3 — CID 141337108

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc(OC)c1
InChIInChI=1S/C24H24N2O3/c1-28-22-11-17(12-23(13-22)29-2)14-25-24(27)18-7-9-21(10-8-18)26-15-19-5-3-4-6-20(19)16-26/h3-13H,14-16H2,1-2H3,(H,25,27)
InChIKeyBJTUVKNHJYZRJD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.15
Rot. Bonds6

About 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide

4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide (PubChem CID 141337108) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
PubChem CID141337108
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc(OC)c1
InChIInChI=1S/C24H24N2O3/c1-28-22-11-17(12-23(13-22)29-2)14-25-24(27)18-7-9-21(10-8-18)26-15-19-5-3-4-6-20(19)16-26/h3-13H,14-16H2,1-2H3,(H,25,27)
InChIKeyBJTUVKNHJYZRJD-UHFFFAOYSA-N
XLogP4.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide (CID 141337108) is 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc(OC)c1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The InChIKey is BJTUVKNHJYZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-22-11-17(12-23(13-22)29-2)14-25-24(27)18-7-9-21(10-8-18)26-15-19-5-3-4-6-20(19)16-26/h3-13H,14-16H2,1-2H3,(H,25,27).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 141337108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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