3-(4-cyano-2,3-difluoroanilino)butanamide

C11H11F2N3O — CID 107934186

IUPAC3-(4-cyano-2,3-difluoroanilino)butanamide
SMILESCC(CC(N)=O)Nc1ccc(C#N)c(F)c1F
InChIInChI=1S/C11H11F2N3O/c1-6(4-9(15)17)16-8-3-2-7(5-14)10(12)11(8)13/h2-3,6,16H,4H2,1H3,(H2,15,17)
InChIKeyPBVFTHMKVJGIOG-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.51
Rot. Bonds4

About 3-(4-cyano-2,3-difluoroanilino)butanamide

3-(4-cyano-2,3-difluoroanilino)butanamide (PubChem CID 107934186) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-(4-cyano-2,3-difluoroanilino)butanamide.

Molecular Properties

Compound Name3-(4-cyano-2,3-difluoroanilino)butanamide
PubChem CID107934186
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name3-(4-cyano-2,3-difluoroanilino)butanamide
SMILESCC(CC(N)=O)Nc1ccc(C#N)c(F)c1F
InChIInChI=1S/C11H11F2N3O/c1-6(4-9(15)17)16-8-3-2-7(5-14)10(12)11(8)13/h2-3,6,16H,4H2,1H3,(H2,15,17)
InChIKeyPBVFTHMKVJGIOG-UHFFFAOYSA-N
XLogP1.51
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyano-2,3-difluoroanilino)butanamide 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

3-(2-cyano-4-fluoroanilino)butanamide
CID 115684999
2,3-difluoro-4-(1-methylsulfonylpropan-2-ylamino)benzonitrile
CID 107933888
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019
2,3-difluoro-4-(1-methylsulfinylpropan-2-ylamino)benzonitrile
CID 114017763
4-(3-ethylpentan-2-ylamino)-2,3-difluorobenzonitrile
CID 107933841
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836
2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide
CID 107933584
2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107934118
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
3-[3-cyano-4-(trifluoromethyl)anilino]butanamide
CID 104843918
2,3-difluoro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzonitrile
CID 107933491
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
CID 107933660

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2,3-difluoroanilino)butanamide?
The IUPAC name of 3-(4-cyano-2,3-difluoroanilino)butanamide (CID 107934186) is 3-(4-cyano-2,3-difluoroanilino)butanamide.
What is the SMILES notation for 3-(4-cyano-2,3-difluoroanilino)butanamide?
The canonical SMILES for 3-(4-cyano-2,3-difluoroanilino)butanamide is CC(CC(N)=O)Nc1ccc(C#N)c(F)c1F.
What is the InChIKey of 3-(4-cyano-2,3-difluoroanilino)butanamide?
The InChIKey is PBVFTHMKVJGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6(4-9(15)17)16-8-3-2-7(5-14)10(12)11(8)13/h2-3,6,16H,4H2,1H3,(H2,15,17).
What are the key properties of 3-(4-cyano-2,3-difluoroanilino)butanamide?
3-(4-cyano-2,3-difluoroanilino)butanamide has a molecular weight of 239.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2,3-difluoroanilino)butanamide is sourced from PubChem (CID 107934186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).