4-(4-cyano-2,5-difluorophenyl)but-3-enamide

C11H8F2N2O — CID 170798299

IUPAC4-(4-cyano-2,5-difluorophenyl)but-3-enamide
SMILESN#Cc1cc(F)c(C=CCC(N)=O)cc1F
InChIInChI=1S/C11H8F2N2O/c12-9-5-8(6-14)10(13)4-7(9)2-1-3-11(15)16/h1-2,4-5H,3H2,(H2,15,16)
InChIKeyRICSDSRSENSPSC-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.73
Rot. Bonds3

About 4-(4-cyano-2,5-difluorophenyl)but-3-enamide

4-(4-cyano-2,5-difluorophenyl)but-3-enamide (PubChem CID 170798299) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-(4-cyano-2,5-difluorophenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-cyano-2,5-difluorophenyl)but-3-enamide
PubChem CID170798299
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name4-(4-cyano-2,5-difluorophenyl)but-3-enamide
SMILESN#Cc1cc(F)c(C=CCC(N)=O)cc1F
InChIInChI=1S/C11H8F2N2O/c12-9-5-8(6-14)10(13)4-7(9)2-1-3-11(15)16/h1-2,4-5H,3H2,(H2,15,16)
InChIKeyRICSDSRSENSPSC-UHFFFAOYSA-N
XLogP1.73
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-cyano-2,5-difluorophenyl)but-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2,5-difluorophenyl)but-3-enamide?
The IUPAC name of 4-(4-cyano-2,5-difluorophenyl)but-3-enamide (CID 170798299) is 4-(4-cyano-2,5-difluorophenyl)but-3-enamide.
What is the SMILES notation for 4-(4-cyano-2,5-difluorophenyl)but-3-enamide?
The canonical SMILES for 4-(4-cyano-2,5-difluorophenyl)but-3-enamide is N#Cc1cc(F)c(C=CCC(N)=O)cc1F.
What is the InChIKey of 4-(4-cyano-2,5-difluorophenyl)but-3-enamide?
The InChIKey is RICSDSRSENSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-9-5-8(6-14)10(13)4-7(9)2-1-3-11(15)16/h1-2,4-5H,3H2,(H2,15,16).
What are the key properties of 4-(4-cyano-2,5-difluorophenyl)but-3-enamide?
4-(4-cyano-2,5-difluorophenyl)but-3-enamide has a molecular weight of 222.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2,5-difluorophenyl)but-3-enamide is sourced from PubChem (CID 170798299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).