1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide

C23H19N3O2 — CID 109049797

IUPAC1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-2-26(21-9-4-3-5-10-21)23(28)19-13-11-18(12-14-19)22(27)25-20-8-6-7-17(15-20)16-24/h3-15H,2H2,1H3,(H,25,27)
InChIKeyLCAUQIKHEQTKAB-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.48
Rot. Bonds5

About 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide

1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109049797) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109049797
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-2-26(21-9-4-3-5-10-21)23(28)19-13-11-18(12-14-19)22(27)25-20-8-6-7-17(15-20)16-24/h3-15H,2H2,1H3,(H,25,27)
InChIKeyLCAUQIKHEQTKAB-UHFFFAOYSA-N
XLogP4.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17222007
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109049797) is 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide is CCN(C(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1)c1ccccc1.
What is the InChIKey of 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is LCAUQIKHEQTKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-2-26(21-9-4-3-5-10-21)23(28)19-13-11-18(12-14-19)22(27)25-20-8-6-7-17(15-20)16-24/h3-15H,2H2,1H3,(H,25,27).
What are the key properties of 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).