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

C23H19N3O2 — CID 109049652

IUPAC4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1C
InChIInChI=1S/C23H19N3O2/c1-15-7-12-20(13-16(15)2)25-22(27)17-8-10-18(11-9-17)23(28)26-21-6-4-3-5-19(21)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyULXWVCBFJMYDQM-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.68
Rot. Bonds4

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

4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049652) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049652
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1C
InChIInChI=1S/C23H19N3O2/c1-15-7-12-20(13-16(15)2)25-22(27)17-8-10-18(11-9-17)23(28)26-21-6-4-3-5-19(21)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyULXWVCBFJMYDQM-UHFFFAOYSA-N
XLogP4.68
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide (CID 109049652) is 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1C.
What is the InChIKey of 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ULXWVCBFJMYDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-7-12-20(13-16(15)2)25-22(27)17-8-10-18(11-9-17)23(28)26-21-6-4-3-5-19(21)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).