2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide

C23H19ClN2O3 — CID 8894164

IUPAC2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide
SMILESCCOc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19ClN2O3/c1-2-28-21-13-16(14-25)12-19(24)23(21)29-15-22(27)26-20-11-7-6-10-18(20)17-8-4-3-5-9-17/h3-13H,2,15H2,1H3,(H,26,27)
InChIKeyZJRXZOLMFLPIFT-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.29
Rot. Bonds7

About 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide

2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide (PubChem CID 8894164) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide
PubChem CID8894164
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide
SMILESCCOc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19ClN2O3/c1-2-28-21-13-16(14-25)12-19(24)23(21)29-15-22(27)26-20-11-7-6-10-18(20)17-8-4-3-5-9-17/h3-13H,2,15H2,1H3,(H,26,27)
InChIKeyZJRXZOLMFLPIFT-UHFFFAOYSA-N
XLogP5.29
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
CID 7893243
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
CID 7893217
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate
CID 8624320
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
[2-(2-cyanoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 7363378
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168586173
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2,6-dimethylphenoxy)acetate
CID 30870537
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide (CID 8894164) is 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide is CCOc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide?
The InChIKey is ZJRXZOLMFLPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-28-21-13-16(14-25)12-19(24)23(21)29-15-22(27)26-20-11-7-6-10-18(20)17-8-4-3-5-9-17/h3-13H,2,15H2,1H3,(H,26,27).
What are the key properties of 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide?
2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 8894164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).