2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide

C17H17N3O — CID 26438593

IUPAC2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CNc2cccc(C#N)c2)c1
InChIInChI=1S/C17H17N3O/c1-12-6-13(2)8-16(7-12)20-17(21)11-19-15-5-3-4-14(9-15)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyMPHIFCXRFDCJQM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide

2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 26438593) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
PubChem CID26438593
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CNc2cccc(C#N)c2)c1
InChIInChI=1S/C17H17N3O/c1-12-6-13(2)8-16(7-12)20-17(21)11-19-15-5-3-4-14(9-15)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyMPHIFCXRFDCJQM-UHFFFAOYSA-N
XLogP3.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide 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-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide
CID 109008815
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide (CID 26438593) is 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CNc2cccc(C#N)c2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is MPHIFCXRFDCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-13(2)8-16(7-12)20-17(21)11-19-15-5-3-4-14(9-15)10-18/h3-9,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 26438593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).