1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide

C23H19N3O3 — CID 109057669

IUPAC1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-2-29-21-12-10-20(11-13-21)26-23(28)18-5-3-4-17(14-18)22(27)25-19-8-6-16(15-24)7-9-19/h3-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyBQXKWUZTAMKXLM-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.46
Rot. Bonds6

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

1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057669) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057669
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-2-29-21-12-10-20(11-13-21)26-23(28)18-5-3-4-17(14-18)22(27)25-19-8-6-16(15-24)7-9-19/h3-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyBQXKWUZTAMKXLM-UHFFFAOYSA-N
XLogP4.46
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate
CID 1243978
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide (CID 109057669) is 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is BQXKWUZTAMKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-29-21-12-10-20(11-13-21)26-23(28)18-5-3-4-17(14-18)22(27)25-19-8-6-16(15-24)7-9-19/h3-14H,2H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).