N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide

C16H10N4O2 — CID 108501554

IUPACN'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C16H10N4O2/c17-9-11-5-7-13(8-6-11)19-15(21)16(22)20-14-4-2-1-3-12(14)10-18/h1-8H,(H,19,21)(H,20,22)
InChIKeyXBKTWYRDDKHNNA-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.01
Rot. Bonds2

About N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide

N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide (PubChem CID 108501554) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
PubChem CID108501554
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC NameN'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C16H10N4O2/c17-9-11-5-7-13(8-6-11)19-15(21)16(22)20-14-4-2-1-3-12(14)10-18/h1-8H,(H,19,21)(H,20,22)
InChIKeyXBKTWYRDDKHNNA-UHFFFAOYSA-N
XLogP2.01
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
(2-cyanophenyl)urea
CID 13155570
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501526
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide (CID 108501554) is N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide is N#Cc1ccc(NC(=O)C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide?
The InChIKey is XBKTWYRDDKHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c17-9-11-5-7-13(8-6-11)19-15(21)16(22)20-14-4-2-1-3-12(14)10-18/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide?
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide has a molecular weight of 290.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide is sourced from PubChem (CID 108501554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).