4-(2-cyano-4-fluoroanilino)butanamide

C11H12FN3O — CID 55248881

IUPAC4-(2-cyano-4-fluoroanilino)butanamide
SMILESN#Cc1cc(F)ccc1NCCCC(N)=O
InChIInChI=1S/C11H12FN3O/c12-9-3-4-10(8(6-9)7-13)15-5-1-2-11(14)16/h3-4,6,15H,1-2,5H2,(H2,14,16)
InChIKeyOGXHWYFBZFHWLM-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.37
Rot. Bonds5

About 4-(2-cyano-4-fluoroanilino)butanamide

4-(2-cyano-4-fluoroanilino)butanamide (PubChem CID 55248881) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(2-cyano-4-fluoroanilino)butanamide.

Molecular Properties

Compound Name4-(2-cyano-4-fluoroanilino)butanamide
PubChem CID55248881
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-(2-cyano-4-fluoroanilino)butanamide
SMILESN#Cc1cc(F)ccc1NCCCC(N)=O
InChIInChI=1S/C11H12FN3O/c12-9-3-4-10(8(6-9)7-13)15-5-1-2-11(14)16/h3-4,6,15H,1-2,5H2,(H2,14,16)
InChIKeyOGXHWYFBZFHWLM-UHFFFAOYSA-N
XLogP1.37
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-cyano-4-fluoroanilino)butanoate
CID 82015683
4-(2-cyano-4-fluoroanilino)-N-methylbutanamide
CID 82015205
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443
6-(2-cyano-4-fluoroanilino)hexanoic acid
CID 63663440
2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
CID 106236966
5-fluoro-2-(4-hydroxypentylamino)benzonitrile
CID 107269158
5-(4-chloro-2-cyanoanilino)pentanamide
CID 106236844
2-[3-(dimethylamino)propylamino]-5-fluorobenzonitrile
CID 63673438
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
5-fluoro-2-(2-methylsulfinylethylamino)benzonitrile
CID 115657623
3-(2-cyano-4-fluoroanilino)butanamide
CID 115684999

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluoroanilino)butanamide?
The IUPAC name of 4-(2-cyano-4-fluoroanilino)butanamide (CID 55248881) is 4-(2-cyano-4-fluoroanilino)butanamide.
What is the SMILES notation for 4-(2-cyano-4-fluoroanilino)butanamide?
The canonical SMILES for 4-(2-cyano-4-fluoroanilino)butanamide is N#Cc1cc(F)ccc1NCCCC(N)=O.
What is the InChIKey of 4-(2-cyano-4-fluoroanilino)butanamide?
The InChIKey is OGXHWYFBZFHWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-3-4-10(8(6-9)7-13)15-5-1-2-11(14)16/h3-4,6,15H,1-2,5H2,(H2,14,16).
What are the key properties of 4-(2-cyano-4-fluoroanilino)butanamide?
4-(2-cyano-4-fluoroanilino)butanamide has a molecular weight of 221.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluoroanilino)butanamide is sourced from PubChem (CID 55248881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).