2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide

C22H13Cl2N3O2 — CID 21079684

IUPAC2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
SMILESN#Cc1cc(C#N)cc(Oc2cc(CC(=O)Nc3ccccc3Cl)ccc2Cl)c1
InChIInChI=1S/C22H13Cl2N3O2/c23-18-3-1-2-4-20(18)27-22(28)11-14-5-6-19(24)21(10-14)29-17-8-15(12-25)7-16(9-17)13-26/h1-10H,11H2,(H,27,28)
InChIKeyOKPFVIZQOCYSKX-UHFFFAOYSA-N
MW422.27 g/mol
LogP5.71
Rot. Bonds5

About 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide

2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide (PubChem CID 21079684) has the molecular formula C22H13Cl2N3O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
PubChem CID21079684
Molecular FormulaC22H13Cl2N3O2
Molecular Weight422.27 g/mol
Exact Mass421.04
IUPAC Name2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
SMILESN#Cc1cc(C#N)cc(Oc2cc(CC(=O)Nc3ccccc3Cl)ccc2Cl)c1
InChIInChI=1S/C22H13Cl2N3O2/c23-18-3-1-2-4-20(18)27-22(28)11-14-5-6-19(24)21(10-14)29-17-8-15(12-25)7-16(9-17)13-26/h1-10H,11H2,(H,27,28)
InChIKeyOKPFVIZQOCYSKX-UHFFFAOYSA-N
XLogP5.71
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.27
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]acetyl]amino]phenyl]acetate
CID 67480960
methyl 2-[4-[[2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]acetyl]amino]phenyl]sulfanylacetate
CID 67480959
2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide
CID 89385329
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
CID 87760016
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
CID 67480996
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385
4-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methylcarbamoyl]benzoic acid
CID 123975807
N-(2-chlorophenyl)-2-(4-cyano-2-fluorophenoxy)acetamide
CID 103792209
2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 58785209
2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide
CID 69018128

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide (CID 21079684) is 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide is N#Cc1cc(C#N)cc(Oc2cc(CC(=O)Nc3ccccc3Cl)ccc2Cl)c1.
What is the InChIKey of 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is OKPFVIZQOCYSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N3O2/c23-18-3-1-2-4-20(18)27-22(28)11-14-5-6-19(24)21(10-14)29-17-8-15(12-25)7-16(9-17)13-26/h1-10H,11H2,(H,27,28).
What are the key properties of 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide?
2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 422.27 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 21079684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).