N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C19H18N2O3 — CID 7733040

IUPACN-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1C
InChIInChI=1S/C19H18N2O3/c1-12-5-3-8-16(13(12)2)20-19(24)14-6-4-7-15(11-14)21-17(22)9-10-18(21)23/h3-8,11H,9-10H2,1-2H3,(H,20,24)
InChIKeyPCOSGLILXDFLJQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.21
Rot. Bonds3

About N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 7733040) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID7733040
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1C
InChIInChI=1S/C19H18N2O3/c1-12-5-3-8-16(13(12)2)20-19(24)14-6-4-7-15(11-14)21-17(22)9-10-18(21)23/h3-8,11H,9-10H2,1-2H3,(H,20,24)
InChIKeyPCOSGLILXDFLJQ-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.21
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

N-(2,3-dimethylphenyl)-3-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 11947183
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18166253
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 18084160
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
N-(2,5-dimethoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4863774
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18139940
dimethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 55341762
3-[(3aS,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3-dimethylphenyl)benzamide
CID 92538871
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
3-[(3aR,5S,6S,7aR)-5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methylphenyl)benzamide
CID 98339372
dimethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345893

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 7733040) is N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is Cc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is PCOSGLILXDFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-5-3-8-16(13(12)2)20-19(24)14-6-4-7-15(11-14)21-17(22)9-10-18(21)23/h3-8,11H,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 322.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7733040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).