2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide

C22H17FN2O2 — CID 34141400

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C22H17FN2O2/c23-21-4-2-1-3-19(21)14-25-22(26)15-27-20-11-9-18(10-12-20)17-7-5-16(13-24)6-8-17/h1-12H,14-15H2,(H,25,26)
InChIKeyOUJCIUTZQCCIOV-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.06
Rot. Bonds6

About 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 34141400) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID34141400
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C22H17FN2O2/c23-21-4-2-1-3-19(21)14-25-22(26)15-27-20-11-9-18(10-12-20)17-7-5-16(13-24)6-8-17/h1-12H,14-15H2,(H,25,26)
InChIKeyOUJCIUTZQCCIOV-UHFFFAOYSA-N
XLogP4.06
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide 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

2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide (CID 34141400) is 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3F)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is OUJCIUTZQCCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-21-4-2-1-3-19(21)14-25-22(26)15-27-20-11-9-18(10-12-20)17-7-5-16(13-24)6-8-17/h1-12H,14-15H2,(H,25,26).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 34141400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).