2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide

C17H16N2O — CID 72893749

IUPAC2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O/c1-19(2)17(20)11-13-6-8-15(9-7-13)16-5-3-4-14(10-16)12-18/h3-10H,11H2,1-2H3
InChIKeyQYJKEUUGUSGBGS-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.86
Rot. Bonds3

About 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide

2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide (PubChem CID 72893749) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
PubChem CID72893749
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O/c1-19(2)17(20)11-13-6-8-15(9-7-13)16-5-3-4-14(10-16)12-18/h3-10H,11H2,1-2H3
InChIKeyQYJKEUUGUSGBGS-UHFFFAOYSA-N
XLogP2.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide (CID 72893749) is 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(-c2cccc(C#N)c2)cc1.
What is the InChIKey of 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide?
The InChIKey is QYJKEUUGUSGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(2)17(20)11-13-6-8-15(9-7-13)16-5-3-4-14(10-16)12-18/h3-10H,11H2,1-2H3.
What are the key properties of 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide?
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide has a molecular weight of 264.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 72893749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).