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

C16H13N3O2 — CID 108986775

IUPACN-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide
SMILESCN(C(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-19(14-8-3-2-4-9-14)16(21)15(20)18-13-7-5-6-12(10-13)11-17/h2-10H,1H3,(H,18,20)
InChIKeyUVNJILMYPBMCGB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.16
Rot. Bonds2

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

N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide (PubChem CID 108986775) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide
PubChem CID108986775
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide
SMILESCN(C(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-19(14-8-3-2-4-9-14)16(21)15(20)18-13-7-5-6-12(10-13)11-17/h2-10H,1H3,(H,18,20)
InChIKeyUVNJILMYPBMCGB-UHFFFAOYSA-N
XLogP2.16
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.16
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'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
(Z)-4-(3-cyanoanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63267169
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-[(3-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 60990103
N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108986817
N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314273
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121265
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide (CID 108986775) is N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide is CN(C(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide?
The InChIKey is UVNJILMYPBMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19(14-8-3-2-4-9-14)16(21)15(20)18-13-7-5-6-12(10-13)11-17/h2-10H,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide?
N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide has a molecular weight of 279.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 108986775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).