2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide

C17H15FN2O3 — CID 71996883

IUPAC2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(OCc2ccc(C#N)cc2F)cc1)C(N)=O
InChIInChI=1S/C17H15FN2O3/c1-11(17(20)21)23-15-6-4-14(5-7-15)22-10-13-3-2-12(9-19)8-16(13)18/h2-8,11H,10H2,1H3,(H2,20,21)
InChIKeyUEFZIHJTWHTQJF-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.53
Rot. Bonds6

About 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide

2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide (PubChem CID 71996883) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide
PubChem CID71996883
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(OCc2ccc(C#N)cc2F)cc1)C(N)=O
InChIInChI=1S/C17H15FN2O3/c1-11(17(20)21)23-15-6-4-14(5-7-15)22-10-13-3-2-12(9-19)8-16(13)18/h2-8,11H,10H2,1H3,(H2,20,21)
InChIKeyUEFZIHJTWHTQJF-UHFFFAOYSA-N
XLogP2.53
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-4-[(4-methylsulfonylphenoxy)methyl]benzonitrile
CID 43235125
4-[[3-(1-aminoethyl)phenoxy]methyl]-3-fluorobenzonitrile
CID 60879391
3-fluoro-4-(propan-2-yloxymethyl)benzonitrile
CID 24696475
4-fluoro-3-[[4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 78930543
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
4-[[6-(2-aminoethyl)-3-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 79799520
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972
[[3-[(4-cyano-2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533209
2-[4-(4-cyano-2-nitrophenoxy)phenoxy]propanamide
CID 133330261
4-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 79800036
3-fluoro-4-[(3-formylphenoxy)methyl]benzonitrile
CID 24708023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide?
The IUPAC name of 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide (CID 71996883) is 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide.
What is the SMILES notation for 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide?
The canonical SMILES for 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide is CC(Oc1ccc(OCc2ccc(C#N)cc2F)cc1)C(N)=O.
What is the InChIKey of 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide?
The InChIKey is UEFZIHJTWHTQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-11(17(20)21)23-15-6-4-14(5-7-15)22-10-13-3-2-12(9-19)8-16(13)18/h2-8,11H,10H2,1H3,(H2,20,21).
What are the key properties of 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide?
2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide has a molecular weight of 314.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyano-2-fluorophenyl)methoxy]phenoxy]propanamide is sourced from PubChem (CID 71996883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).