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

C11H12FN3O — CID 115685019

IUPAC3-(4-cyano-2-fluoroanilino)butanamide
SMILESCC(CC(N)=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C11H12FN3O/c1-7(4-11(14)16)15-10-3-2-8(6-13)5-9(10)12/h2-3,5,7,15H,4H2,1H3,(H2,14,16)
InChIKeyYZCJSEWORDGOPL-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.37
Rot. Bonds4

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

3-(4-cyano-2-fluoroanilino)butanamide (PubChem CID 115685019) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-(4-cyano-2-fluoroanilino)butanamide.

Molecular Properties

Compound Name3-(4-cyano-2-fluoroanilino)butanamide
PubChem CID115685019
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-(4-cyano-2-fluoroanilino)butanamide
SMILESCC(CC(N)=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C11H12FN3O/c1-7(4-11(14)16)15-10-3-2-8(6-13)5-9(10)12/h2-3,5,7,15H,4H2,1H3,(H2,14,16)
InChIKeyYZCJSEWORDGOPL-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

2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192
3-(2-cyano-4-fluoroanilino)butanamide
CID 115684999
2-(4-cyano-2-fluoroanilino)propanoic acid
CID 43656940
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186
3-fluoro-4-(propan-2-ylamino)benzonitrile
CID 43656980
3-fluoro-4-(1-phenylpropan-2-ylamino)benzonitrile
CID 55182013
3-[(4-cyano-2,6-difluorophenyl)methylamino]butanamide
CID 107038987
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
CID 104685438
2-(4-cyano-2-fluoroanilino)-4-methoxybutanoic acid
CID 62478283
methyl 3-(2-chloro-4-cyanoanilino)butanoate
CID 107807819

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-fluoroanilino)butanamide?
The IUPAC name of 3-(4-cyano-2-fluoroanilino)butanamide (CID 115685019) is 3-(4-cyano-2-fluoroanilino)butanamide.
What is the SMILES notation for 3-(4-cyano-2-fluoroanilino)butanamide?
The canonical SMILES for 3-(4-cyano-2-fluoroanilino)butanamide is CC(CC(N)=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of 3-(4-cyano-2-fluoroanilino)butanamide?
The InChIKey is YZCJSEWORDGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(4-11(14)16)15-10-3-2-8(6-13)5-9(10)12/h2-3,5,7,15H,4H2,1H3,(H2,14,16).
What are the key properties of 3-(4-cyano-2-fluoroanilino)butanamide?
3-(4-cyano-2-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-(4-cyano-2-fluoroanilino)butanamide is sourced from PubChem (CID 115685019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).