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

C22H19Cl2NO3 — CID 18870437

IUPACN-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-14-10-15(2)12-18(11-14)28-17-8-6-16(7-9-17)27-13-21(26)25-20-5-3-4-19(23)22(20)24/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyBLDBRUGZXNBYNF-UHFFFAOYSA-N
MW416.30 g/mol
LogP6.42
Rot. Bonds6

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

N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide (PubChem CID 18870437) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
PubChem CID18870437
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-14-10-15(2)12-18(11-14)28-17-8-6-16(7-9-17)27-13-21(26)25-20-5-3-4-19(23)22(20)24/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyBLDBRUGZXNBYNF-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

N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-(2,3-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732993
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
N-(3-chloro-2-fluorophenyl)-2-(4-methylphenoxy)acetamide
CID 31507595
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733346
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126177044

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide (CID 18870437) is N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide is Cc1cc(C)cc(Oc2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
The InChIKey is BLDBRUGZXNBYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c1-14-10-15(2)12-18(11-14)28-17-8-6-16(7-9-17)27-13-21(26)25-20-5-3-4-19(23)22(20)24/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide?
N-(2,3-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-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 18870437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).