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

C22H14N4O2 — CID 109050250

IUPAC4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1
InChIInChI=1S/C22H14N4O2/c23-13-15-5-11-19(12-6-15)25-21(27)16-7-9-17(10-8-16)22(28)26-20-4-2-1-3-18(20)14-24/h1-12H,(H,25,27)(H,26,28)
InChIKeyKRZUBXPMNDMWIF-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.93
Rot. Bonds4

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

4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide (PubChem CID 109050250) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
PubChem CID109050250
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1
InChIInChI=1S/C22H14N4O2/c23-13-15-5-11-19(12-6-15)25-21(27)16-7-9-17(10-8-16)22(28)26-20-4-2-1-3-18(20)14-24/h1-12H,(H,25,27)(H,26,28)
InChIKeyKRZUBXPMNDMWIF-UHFFFAOYSA-N
XLogP3.93
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide (CID 109050250) is 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide is N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1.
What is the InChIKey of 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
The InChIKey is KRZUBXPMNDMWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c23-13-15-5-11-19(12-6-15)25-21(27)16-7-9-17(10-8-16)22(28)26-20-4-2-1-3-18(20)14-24/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).