N-[(4-cyanophenyl)methyl]-N'-phenyloxamide

C16H13N3O2 — CID 166188116

IUPACN-[(4-cyanophenyl)methyl]-N'-phenyloxamide
SMILESN#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H13N3O2/c17-10-12-6-8-13(9-7-12)11-18-15(20)16(21)19-14-4-2-1-3-5-14/h1-9H,11H2,(H,18,20)(H,19,21)
InChIKeyINCNYLFPFXXTGT-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.81
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-N'-phenyloxamide

N-[(4-cyanophenyl)methyl]-N'-phenyloxamide (PubChem CID 166188116) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N'-phenyloxamide
PubChem CID166188116
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[(4-cyanophenyl)methyl]-N'-phenyloxamide
SMILESN#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H13N3O2/c17-10-12-6-8-13(9-7-12)11-18-15(20)16(21)19-14-4-2-1-3-5-14/h1-9H,11H2,(H,18,20)(H,19,21)
InChIKeyINCNYLFPFXXTGT-UHFFFAOYSA-N
XLogP1.81
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
[4-[[2-(benzylamino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108508936
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-cyanophenyl)oxamide
CID 108508533
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
4-(anilinomethyl)benzonitrile
CID 11148468
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
(4-cyanophenyl) 2-anilino-2-oxoacetate
CID 58981566
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N'-phenyloxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N'-phenyloxamide (CID 166188116) is N-[(4-cyanophenyl)methyl]-N'-phenyloxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N'-phenyloxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N'-phenyloxamide is N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N'-phenyloxamide?
The InChIKey is INCNYLFPFXXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-10-12-6-8-13(9-7-12)11-18-15(20)16(21)19-14-4-2-1-3-5-14/h1-9H,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-N'-phenyloxamide?
N-[(4-cyanophenyl)methyl]-N'-phenyloxamide has a molecular weight of 279.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N'-phenyloxamide is sourced from PubChem (CID 166188116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).