3-(2-cyano-4-fluoroanilino)butanamide

C11H12FN3O — CID 115684999

IUPAC3-(2-cyano-4-fluoroanilino)butanamide
SMILESCC(CC(N)=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H12FN3O/c1-7(4-11(14)16)15-10-3-2-9(12)5-8(10)6-13/h2-3,5,7,15H,4H2,1H3,(H2,14,16)
InChIKeyFLKHMTVLXSEEFV-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.37
Rot. Bonds4

About 3-(2-cyano-4-fluoroanilino)butanamide

3-(2-cyano-4-fluoroanilino)butanamide (PubChem CID 115684999) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-(2-cyano-4-fluoroanilino)butanamide.

Molecular Properties

Compound Name3-(2-cyano-4-fluoroanilino)butanamide
PubChem CID115684999
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-(2-cyano-4-fluoroanilino)butanamide
SMILESCC(CC(N)=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H12FN3O/c1-7(4-11(14)16)15-10-3-2-9(12)5-8(10)6-13/h2-3,5,7,15H,4H2,1H3,(H2,14,16)
InChIKeyFLKHMTVLXSEEFV-UHFFFAOYSA-N
XLogP1.37
TPSA78.91 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019
N-butan-2-yl-2-(2-cyano-4-fluoroanilino)propanamide
CID 82015893
4-(2-cyano-4-fluoroanilino)butanamide
CID 55248881
2-(4-ethylsulfanylbutan-2-ylamino)-5-fluorobenzonitrile
CID 115744749
(3S)-3-(aminomethyl)-N-(2-cyano-4-fluorophenyl)-5-methylhexanamide
CID 82015909
3-[3-cyano-4-(trifluoromethyl)anilino]butanamide
CID 104843918
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
5-fluoro-2-(4-hydroxypentylamino)benzonitrile
CID 107269158
5-fluoro-2-[[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]amino]benzonitrile
CID 97068927

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-4-fluoroanilino)butanamide?
The IUPAC name of 3-(2-cyano-4-fluoroanilino)butanamide (CID 115684999) is 3-(2-cyano-4-fluoroanilino)butanamide.
What is the SMILES notation for 3-(2-cyano-4-fluoroanilino)butanamide?
The canonical SMILES for 3-(2-cyano-4-fluoroanilino)butanamide is CC(CC(N)=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of 3-(2-cyano-4-fluoroanilino)butanamide?
The InChIKey is FLKHMTVLXSEEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(4-11(14)16)15-10-3-2-9(12)5-8(10)6-13/h2-3,5,7,15H,4H2,1H3,(H2,14,16).
What are the key properties of 3-(2-cyano-4-fluoroanilino)butanamide?
3-(2-cyano-4-fluoroanilino)butanamide has a molecular weight of 221.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-4-fluoroanilino)butanamide is sourced from PubChem (CID 115684999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).