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

C16H13ClN2O3 — CID 8975814

IUPAC2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c1-21-13-5-3-12(4-6-13)19-16(20)10-22-15-7-2-11(9-18)8-14(15)17/h2-8H,10H2,1H3,(H,19,20)
InChIKeyVJKIRJKSCRILDW-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.24
Rot. Bonds5

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

2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 8975814) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID8975814
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c1-21-13-5-3-12(4-6-13)19-16(20)10-22-15-7-2-11(9-18)8-14(15)17/h2-8H,10H2,1H3,(H,19,20)
InChIKeyVJKIRJKSCRILDW-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-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
2-[[2-(2-chloro-4-cyanophenoxy)acetyl]amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16565826
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
(E)-3-[3-chloro-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 126380601
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide (CID 8975814) is 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is VJKIRJKSCRILDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-13-5-3-12(4-6-13)19-16(20)10-22-15-7-2-11(9-18)8-14(15)17/h2-8H,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide?
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)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 2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).