N-[(4-cyano-3-fluorophenyl)methyl]propanamide

C11H11FN2O — CID 155779163

IUPACN-[(4-cyano-3-fluorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(C#N)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-2-11(15)14-7-8-3-4-9(6-13)10(12)5-8/h3-5H,2,7H2,1H3,(H,14,15)
InChIKeyHYEUCNPQNRIECK-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.72
Rot. Bonds3

About N-[(4-cyano-3-fluorophenyl)methyl]propanamide

N-[(4-cyano-3-fluorophenyl)methyl]propanamide (PubChem CID 155779163) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-cyano-3-fluorophenyl)methyl]propanamide
PubChem CID155779163
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC NameN-[(4-cyano-3-fluorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(C#N)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-2-11(15)14-7-8-3-4-9(6-13)10(12)5-8/h3-5H,2,7H2,1H3,(H,14,15)
InChIKeyHYEUCNPQNRIECK-UHFFFAOYSA-N
XLogP1.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyano-3-fluorophenyl)methyl]propanamide 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 N-[(4-cyano-3-fluorophenyl)methyl]propanamide?
The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]propanamide (CID 155779163) is N-[(4-cyano-3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]propanamide is CCC(=O)NCc1ccc(C#N)c(F)c1.
What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]propanamide?
The InChIKey is HYEUCNPQNRIECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-11(15)14-7-8-3-4-9(6-13)10(12)5-8/h3-5H,2,7H2,1H3,(H,14,15).
What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]propanamide?
N-[(4-cyano-3-fluorophenyl)methyl]propanamide has a molecular weight of 206.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 155779163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).