1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide

C23H19N3O2 — CID 109057187

IUPAC1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C23H19N3O2/c1-15-9-10-16(2)21(11-15)26-23(28)19-7-4-6-18(13-19)22(27)25-20-8-3-5-17(12-20)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWLOXGTCGFUZTQJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.68
Rot. Bonds4

About 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide

1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057187) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057187
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C23H19N3O2/c1-15-9-10-16(2)21(11-15)26-23(28)19-7-4-6-18(13-19)22(27)25-20-8-3-5-17(12-20)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWLOXGTCGFUZTQJ-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

4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109057187) is 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is WLOXGTCGFUZTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-9-10-16(2)21(11-15)26-23(28)19-7-4-6-18(13-19)22(27)25-20-8-3-5-17(12-20)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide?
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-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-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).