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

C21H14Cl2N2O2 — CID 1034300

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C21H14Cl2N2O2/c22-17-7-10-20(19(23)11-17)25-21(26)13-27-18-8-5-16(6-9-18)15-3-1-14(12-24)2-4-15/h1-11H,13H2,(H,25,26)
InChIKeyFYWSEXZQRZLZSV-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.55
Rot. Bonds5

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

2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 1034300) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
PubChem CID1034300
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C21H14Cl2N2O2/c22-17-7-10-20(19(23)11-17)25-21(26)13-27-18-8-5-16(6-9-18)15-3-1-14(12-24)2-4-15/h1-11H,13H2,(H,25,26)
InChIKeyFYWSEXZQRZLZSV-UHFFFAOYSA-N
XLogP5.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
[2-(2,4-dichloroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984198
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141284
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide (CID 1034300) is 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is FYWSEXZQRZLZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-17-7-10-20(19(23)11-17)25-21(26)13-27-18-8-5-16(6-9-18)15-3-1-14(12-24)2-4-15/h1-11H,13H2,(H,25,26).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 397.26 g/mol, XLogP of 5.55, 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-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1034300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).