3-[2-cyano-4-(trifluoromethyl)anilino]propanamide

C11H10F3N3O — CID 43553728

IUPAC3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCCC(N)=O
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-1-2-9(7(5-8)6-15)17-4-3-10(16)18/h1-2,5,17H,3-4H2,(H2,16,18)
InChIKeyQZIBEYZRTMNWPA-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide

3-[2-cyano-4-(trifluoromethyl)anilino]propanamide (PubChem CID 43553728) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
PubChem CID43553728
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCCC(N)=O
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-1-2-9(7(5-8)6-15)17-4-3-10(16)18/h1-2,5,17H,3-4H2,(H2,16,18)
InChIKeyQZIBEYZRTMNWPA-UHFFFAOYSA-N
XLogP1.86
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyano-4-(trifluoromethyl)anilino]propanoic acid
CID 43331025
3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
2-(butylamino)-5-(trifluoromethyl)benzonitrile
CID 43153532
2-(3-cyanopropylamino)-5-(trifluoromethyl)benzonitrile
CID 112556126
2-[2-(cyclopropylamino)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 55100935
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
4-(2-cyano-4-fluoroanilino)butanamide
CID 55248881
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-(3-ethylsulfonylpropylamino)-5-(trifluoromethyl)benzonitrile
CID 115911140
N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
CID 133360912
2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 115693730
2-(2-propylsulfonylethylamino)-5-(trifluoromethyl)benzonitrile
CID 106724278

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide (CID 43553728) is 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide is N#Cc1cc(C(F)(F)F)ccc1NCCC(N)=O.
What is the InChIKey of 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide?
The InChIKey is QZIBEYZRTMNWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-1-2-9(7(5-8)6-15)17-4-3-10(16)18/h1-2,5,17H,3-4H2,(H2,16,18).
What are the key properties of 3-[2-cyano-4-(trifluoromethyl)anilino]propanamide?
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide has a molecular weight of 257.21 g/mol, XLogP of 1.86, 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-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43553728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).