2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide

C13H16FN3O — CID 78916121

IUPAC2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(C#N)cc1F
InChIInChI=1S/C13H16FN3O/c1-9(2)7-17-13(18)8-16-12-4-3-10(6-15)5-11(12)14/h3-5,9,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyNYZFCAIDUXBOLQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide

2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide (PubChem CID 78916121) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
PubChem CID78916121
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(C#N)cc1F
InChIInChI=1S/C13H16FN3O/c1-9(2)7-17-13(18)8-16-12-4-3-10(6-15)5-11(12)14/h3-5,9,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyNYZFCAIDUXBOLQ-UHFFFAOYSA-N
XLogP1.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)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-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
3-fluoro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79769787
2-(5-bromo-2-cyanoanilino)-N-(2-methylpropyl)acetamide
CID 114902151
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
CID 61021223
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzonitrile
CID 66180391
N-(cyanomethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 28892313
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
CID 133284643
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
2-(4-cyano-2-fluoroanilino)propanoic acid
CID 43656940

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide (CID 78916121) is 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1ccc(C#N)cc1F.
What is the InChIKey of 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is NYZFCAIDUXBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(2)7-17-13(18)8-16-12-4-3-10(6-15)5-11(12)14/h3-5,9,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide?
2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 249.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 78916121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).