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

C22H15N3O2 — CID 7670915

IUPACN-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C#N)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-5-7-17(8-6-16)18-9-11-20(12-10-18)27-15-22(26)25-21-4-2-1-3-19(21)14-24/h1-12H,15H2,(H,25,26)
InChIKeyPELHSIKJESXRFT-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.11
Rot. Bonds5

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

N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 7670915) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID7670915
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC NameN-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C#N)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-5-7-17(8-6-16)18-9-11-20(12-10-18)27-15-22(26)25-21-4-2-1-3-19(21)14-24/h1-12H,15H2,(H,25,26)
InChIKeyPELHSIKJESXRFT-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

2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 16595652
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 7670294
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-(2-cyanophenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 26216328
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842616
N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670832
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 7670915) is N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C#N)cc2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is PELHSIKJESXRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-13-16-5-7-17(8-6-16)18-9-11-20(12-10-18)27-15-22(26)25-21-4-2-1-3-19(21)14-24/h1-12H,15H2,(H,25,26).
What are the key properties of N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-(2-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-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 7670915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).