2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide

C17H16N2O — CID 62878043

IUPAC2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1cc(C)cc(NC(=O)C(C#N)c2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-12-8-13(2)10-15(9-12)19-17(20)16(11-18)14-6-4-3-5-7-14/h3-10,16H,1-2H3,(H,19,20)
InChIKeyGHULXGKONHDBAH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.55
Rot. Bonds3

About 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide

2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide (PubChem CID 62878043) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
PubChem CID62878043
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1cc(C)cc(NC(=O)C(C#N)c2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-12-8-13(2)10-15(9-12)19-17(20)16(11-18)14-6-4-3-5-7-14/h3-10,16H,1-2H3,(H,19,20)
InChIKeyGHULXGKONHDBAH-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
2-amino-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 24701080
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 55128778
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185
N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
CID 62907733
2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
CID 144523280
N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
CID 107805412

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide (CID 62878043) is 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide is Cc1cc(C)cc(NC(=O)C(C#N)c2ccccc2)c1.
What is the InChIKey of 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide?
The InChIKey is GHULXGKONHDBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-8-13(2)10-15(9-12)19-17(20)16(11-18)14-6-4-3-5-7-14/h3-10,16H,1-2H3,(H,19,20).
What are the key properties of 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide?
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide has a molecular weight of 264.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 62878043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).