N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide

C22H19Cl2NO3 — CID 18870439

IUPACN-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-14-7-15(2)9-21(8-14)28-20-5-3-19(4-6-20)27-13-22(26)25-18-11-16(23)10-17(24)12-18/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyGTKHHZVGXBSHBY-UHFFFAOYSA-N
MW416.30 g/mol
LogP6.42
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide

N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide (PubChem CID 18870439) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
PubChem CID18870439
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-14-7-15(2)9-21(8-14)28-20-5-3-19(4-6-20)27-13-22(26)25-18-11-16(23)10-17(24)12-18/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyGTKHHZVGXBSHBY-UHFFFAOYSA-N
XLogP6.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.30
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870437
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
CID 7140043
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
N-(3,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793228
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide (CID 18870439) is N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide is Cc1cc(C)cc(Oc2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
The InChIKey is GTKHHZVGXBSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c1-14-7-15(2)9-21(8-14)28-20-5-3-19(4-6-20)27-13-22(26)25-18-11-16(23)10-17(24)12-18/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide has a molecular weight of 416.30 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 18870439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).