N,N'-bis(4-cyanophenyl)propanediamide

C17H12N4O2 — CID 108956949

IUPACN,N'-bis(4-cyanophenyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H12N4O2/c18-10-12-1-5-14(6-2-12)20-16(22)9-17(23)21-15-7-3-13(11-19)4-8-15/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyOUHJMIWSDBWKDJ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.40
Rot. Bonds4

About N,N'-bis(4-cyanophenyl)propanediamide

N,N'-bis(4-cyanophenyl)propanediamide (PubChem CID 108956949) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N,N'-bis(4-cyanophenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(4-cyanophenyl)propanediamide
PubChem CID108956949
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN,N'-bis(4-cyanophenyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H12N4O2/c18-10-12-1-5-14(6-2-12)20-16(22)9-17(23)21-15-7-3-13(11-19)4-8-15/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyOUHJMIWSDBWKDJ-UHFFFAOYSA-N
XLogP2.40
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
CID 138582553
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]-2-hydroxyacetamide
CID 125463979
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
CID 138582531

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-cyanophenyl)propanediamide?
The IUPAC name of N,N'-bis(4-cyanophenyl)propanediamide (CID 108956949) is N,N'-bis(4-cyanophenyl)propanediamide.
What is the SMILES notation for N,N'-bis(4-cyanophenyl)propanediamide?
The canonical SMILES for N,N'-bis(4-cyanophenyl)propanediamide is N#Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N,N'-bis(4-cyanophenyl)propanediamide?
The InChIKey is OUHJMIWSDBWKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-10-12-1-5-14(6-2-12)20-16(22)9-17(23)21-15-7-3-13(11-19)4-8-15/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(4-cyanophenyl)propanediamide?
N,N'-bis(4-cyanophenyl)propanediamide has a molecular weight of 304.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-cyanophenyl)propanediamide is sourced from PubChem (CID 108956949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).