1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide

C24H22N2O3 — CID 109057272

IUPAC1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-15-6-4-9-22(16(15)2)26-24(29)20-8-5-7-19(14-20)23(28)25-21-12-10-18(11-13-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyGAZMTUAVCOXQMP-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.01
Rot. Bonds5

About 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide

1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057272) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057272
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-15-6-4-9-22(16(15)2)26-24(29)20-8-5-7-19(14-20)23(28)25-21-12-10-18(11-13-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyGAZMTUAVCOXQMP-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
CID 18207871
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849254

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109057272) is 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is GAZMTUAVCOXQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-6-4-9-22(16(15)2)26-24(29)20-8-5-7-19(14-20)23(28)25-21-12-10-18(11-13-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).