N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide

C16H12N2O2 — CID 47121265

IUPACN-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H12N2O2/c1-11-5-7-13(8-6-11)15(19)16(20)18-14-4-2-3-12(9-14)10-17/h2-9H,1H3,(H,18,20)
InChIKeyNLKPOCOSXXXKHM-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.69
Rot. Bonds3

About N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 47121265) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID47121265
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC NameN-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H12N2O2/c1-11-5-7-13(8-6-11)15(19)16(20)18-14-4-2-3-12(9-14)10-17/h2-9H,1H3,(H,18,20)
InChIKeyNLKPOCOSXXXKHM-UHFFFAOYSA-N
XLogP2.69
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.69
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-(2,4-dimethylphenyl)oxamide
CID 108986817
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
(Z)-4-(3-cyanoanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63267169
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 47121265) is N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is NLKPOCOSXXXKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11-5-7-13(8-6-11)15(19)16(20)18-14-4-2-3-12(9-14)10-17/h2-9H,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 264.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 47121265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).