2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide

C21H15FN2O2 — CID 7966651

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H15FN2O2/c22-18-2-1-3-19(12-18)24-21(25)14-26-20-10-8-17(9-11-20)16-6-4-15(13-23)5-7-16/h1-12H,14H2,(H,24,25)
InChIKeyVISOHUOSTJIFQG-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.38
Rot. Bonds5

About 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide (PubChem CID 7966651) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
PubChem CID7966651
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H15FN2O2/c22-18-2-1-3-19(12-18)24-21(25)14-26-20-10-8-17(9-11-20)16-6-4-15(13-23)5-7-16/h1-12H,14H2,(H,24,25)
InChIKeyVISOHUOSTJIFQG-UHFFFAOYSA-N
XLogP4.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 9019837
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 4612064
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide (CID 7966651) is 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide?
The InChIKey is VISOHUOSTJIFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-18-2-1-3-19(12-18)24-21(25)14-26-20-10-8-17(9-11-20)16-6-4-15(13-23)5-7-16/h1-12H,14H2,(H,24,25).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide has a molecular weight of 346.36 g/mol, XLogP of 4.38, 5 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).