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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide
CID 71997885
3-[4-(ethoxymethyl)phenyl]benzonitrile
CID 139818129
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
3-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide
CID 11851550
3-[4-[(propan-2-ylamino)methyl]phenyl]benzonitrile
CID 54912123
3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide
CID 119061327

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).