N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide

C22H17N3O2 — CID 108987656

IUPACN'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
SMILESN#Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H17N3O2/c23-15-18-10-7-11-19(14-18)24-21(26)22(27)25(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14H,16H2,(H,24,26)
InChIKeyAUZSAANGNSWYOO-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.73
Rot. Bonds4

About N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide

N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide (PubChem CID 108987656) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
PubChem CID108987656
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
SMILESN#Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H17N3O2/c23-15-18-10-7-11-19(14-18)24-21(26)22(27)25(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14H,16H2,(H,24,26)
InChIKeyAUZSAANGNSWYOO-UHFFFAOYSA-N
XLogP3.73
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide
CID 108986775
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
CID 108516125
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea
CID 75444536
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide?
The IUPAC name of N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide (CID 108987656) is N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide?
The canonical SMILES for N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide is N#Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide?
The InChIKey is AUZSAANGNSWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-15-18-10-7-11-19(14-18)24-21(26)22(27)25(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14H,16H2,(H,24,26).
What are the key properties of N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide?
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide has a molecular weight of 355.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide is sourced from PubChem (CID 108987656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).