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

C23H17ClN2O3 — CID 4223086

IUPAC4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O3/c1-15-5-4-6-18(13-15)25(21(27)16-9-11-17(24)12-10-16)14-26-22(28)19-7-2-3-8-20(19)23(26)29/h2-13H,14H2,1H3
InChIKeyXNXCOXHEHDVVEE-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.55
Rot. Bonds4

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

4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 4223086) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
PubChem CID4223086
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O3/c1-15-5-4-6-18(13-15)25(21(27)16-9-11-17(24)12-10-16)14-26-22(28)19-7-2-3-8-20(19)23(26)29/h2-13H,14H2,1H3
InChIKeyXNXCOXHEHDVVEE-UHFFFAOYSA-N
XLogP4.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dioxoisoindol-2-yl)methyl]-3-methyl-N-(4-phenoxyphenyl)benzamide
CID 4644831
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
CID 3914689
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108889606
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide
CID 3616949
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159351
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
CID 23938154

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide (CID 4223086) is 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide is Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is XNXCOXHEHDVVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-15-5-4-6-18(13-15)25(21(27)16-9-11-17(24)12-10-16)14-26-22(28)19-7-2-3-8-20(19)23(26)29/h2-13H,14H2,1H3.
What are the key properties of 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide?
4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 404.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 4223086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).