N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide

C16H13ClN2O3 — CID 7503472

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H13ClN2O3/c1-21-15-7-4-12(17)8-14(15)19-16(20)10-22-13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3,(H,19,20)
InChIKeyRXIMRSUSNBQSCO-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.24
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 7503472) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
PubChem CID7503472
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H13ClN2O3/c1-21-15-7-4-12(17)8-14(15)19-16(20)10-22-13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3,(H,19,20)
InChIKeyRXIMRSUSNBQSCO-UHFFFAOYSA-N
XLogP3.24
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592675
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 9019861
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126202386
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626302

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide (CID 7503472) is N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is RXIMRSUSNBQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-15-7-4-12(17)8-14(15)19-16(20)10-22-13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 316.74 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 7503472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).