2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide

C23H18Cl2N2O2 — CID 21079623

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C23H18Cl2N2O2/c1-2-17-8-7-15(12-23(28)27-21-6-4-3-5-20(21)25)11-22(17)29-19-10-16(14-26)9-18(24)13-19/h3-11,13H,2,12H2,1H3,(H,27,28)
InChIKeyPSKIBFCFIZBBHF-UHFFFAOYSA-N
MW425.32 g/mol
LogP6.40
Rot. Bonds6

About 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide

2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide (PubChem CID 21079623) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
PubChem CID21079623
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C23H18Cl2N2O2/c1-2-17-8-7-15(12-23(28)27-21-6-4-3-5-20(21)25)11-22(17)29-19-10-16(14-26)9-18(24)13-19/h3-11,13H,2,12H2,1H3,(H,27,28)
InChIKeyPSKIBFCFIZBBHF-UHFFFAOYSA-N
XLogP6.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide (CID 21079623) is 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide is CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is PSKIBFCFIZBBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c1-2-17-8-7-15(12-23(28)27-21-6-4-3-5-20(21)25)11-22(17)29-19-10-16(14-26)9-18(24)13-19/h3-11,13H,2,12H2,1H3,(H,27,28).
What are the key properties of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 425.32 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 21079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).