3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide

C23H20N2O4 — CID 122639366

IUPAC3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)cc1OC
InChIInChI=1S/C23H20N2O4/c1-28-19-11-8-15(12-20(19)29-2)22(26)25-18-10-9-16(14-6-4-3-5-7-14)17-13-24-23(27)21(17)18/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyASMVYTWVNZKFQI-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.87
Rot. Bonds5

About 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide

3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide (PubChem CID 122639366) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
PubChem CID122639366
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)cc1OC
InChIInChI=1S/C23H20N2O4/c1-28-19-11-8-15(12-20(19)29-2)22(26)25-18-10-9-16(14-6-4-3-5-7-14)17-13-24-23(27)21(17)18/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyASMVYTWVNZKFQI-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
1-[4-(7-methoxy-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-(3-methylphenyl)urea
CID 5329914
2-methoxy-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 147732049
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 122639089
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide (CID 122639366) is 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide?
The InChIKey is ASMVYTWVNZKFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-19-11-8-15(12-20(19)29-2)22(26)25-18-10-9-16(14-6-4-3-5-7-14)17-13-24-23(27)21(17)18/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide?
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide has a molecular weight of 388.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide is sourced from PubChem (CID 122639366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).