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

C23H19N3O2 — CID 109049608

IUPAC1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c(C)c1
InChIInChI=1S/C23H19N3O2/c1-15-3-12-21(16(2)13-15)26-23(28)19-8-6-18(7-9-19)22(27)25-20-10-4-17(14-24)5-11-20/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyRMDYDNMXEUNLHK-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.68
Rot. Bonds4

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

1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049608) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049608
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c(C)c1
InChIInChI=1S/C23H19N3O2/c1-15-3-12-21(16(2)13-15)26-23(28)19-8-6-18(7-9-19)22(27)25-20-10-4-17(14-24)5-11-20/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyRMDYDNMXEUNLHK-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

N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155551960
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035242
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide (CID 109049608) is 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c(C)c1.
What is the InChIKey of 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is RMDYDNMXEUNLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-3-12-21(16(2)13-15)26-23(28)19-8-6-18(7-9-19)22(27)25-20-10-4-17(14-24)5-11-20/h3-13H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide?
1-N-(4-cyanophenyl)-4-N-(2,4-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 1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).