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

C22H15N3O2 — CID 7966728

IUPACN-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-1-5-18(6-2-16)19-7-11-21(12-8-19)27-15-22(26)25-20-9-3-17(14-24)4-10-20/h1-12H,15H2,(H,25,26)
InChIKeyYPBGYCHPPFCFAB-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.11
Rot. Bonds5

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

N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 7966728) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID7966728
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC NameN-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-1-5-18(6-2-16)19-7-11-21(12-8-19)27-15-22(26)25-20-9-3-17(14-24)4-10-20/h1-12H,15H2,(H,25,26)
InChIKeyYPBGYCHPPFCFAB-UHFFFAOYSA-N
XLogP4.11
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
N-(4-cyanophenyl)-2-quinoxalin-6-yloxyacetamide
CID 3903681

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 7966728) is N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is N#Cc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is YPBGYCHPPFCFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-13-16-1-5-18(6-2-16)19-7-11-21(12-8-19)27-15-22(26)25-20-9-3-17(14-24)4-10-20/h1-12H,15H2,(H,25,26).
What are the key properties of N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 353.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 7966728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).