3-cyano-3-(3-fluoroanilino)-N-methylpropanamide

C11H12FN3O — CID 66428420

IUPAC3-cyano-3-(3-fluoroanilino)-N-methylpropanamide
SMILESCNC(=O)CC(C#N)Nc1cccc(F)c1
InChIInChI=1S/C11H12FN3O/c1-14-11(16)6-10(7-13)15-9-4-2-3-8(12)5-9/h2-5,10,15H,6H2,1H3,(H,14,16)
InChIKeyRGHIKQOSNKQCLU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.27
Rot. Bonds4

About 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide

3-cyano-3-(3-fluoroanilino)-N-methylpropanamide (PubChem CID 66428420) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(3-fluoroanilino)-N-methylpropanamide
PubChem CID66428420
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-cyano-3-(3-fluoroanilino)-N-methylpropanamide
SMILESCNC(=O)CC(C#N)Nc1cccc(F)c1
InChIInChI=1S/C11H12FN3O/c1-14-11(16)6-10(7-13)15-9-4-2-3-8(12)5-9/h2-5,10,15H,6H2,1H3,(H,14,16)
InChIKeyRGHIKQOSNKQCLU-UHFFFAOYSA-N
XLogP1.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide 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-fluoroanilino)-4,4-dimethylpentanenitrile
CID 62952128
1-(1-cyanopropyl)-3-(3-fluorophenyl)urea
CID 61124603
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
2-(3-fluoroanilino)-4-methoxy-3-methylbutanenitrile
CID 116501909
[(1S)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223815
3-(3-bromoanilino)-3-cyano-N,N-diethylpropanamide
CID 66431283
1-(3-fluoroanilino)-2-(methylamino)ethanol
CID 69482385
ethyl 3-anilino-3-cyanopropanoate
CID 66432357
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
CID 66431284
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide?
The IUPAC name of 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide (CID 66428420) is 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide.
What is the SMILES notation for 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide?
The canonical SMILES for 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide is CNC(=O)CC(C#N)Nc1cccc(F)c1.
What is the InChIKey of 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide?
The InChIKey is RGHIKQOSNKQCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-14-11(16)6-10(7-13)15-9-4-2-3-8(12)5-9/h2-5,10,15H,6H2,1H3,(H,14,16).
What are the key properties of 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide?
3-cyano-3-(3-fluoroanilino)-N-methylpropanamide has a molecular weight of 221.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(3-fluoroanilino)-N-methylpropanamide is sourced from PubChem (CID 66428420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).