N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide

C20H23Cl2NO3 — CID 4733346

IUPACN-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
SMILESCCCCCCOc1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C20H23Cl2NO3/c1-2-3-4-5-12-25-15-8-6-9-16(13-15)26-14-19(24)23-18-11-7-10-17(21)20(18)22/h6-11,13H,2-5,12,14H2,1H3,(H,23,24)
InChIKeyWNSGXGZTLSJXKB-UHFFFAOYSA-N
MW396.31 g/mol
LogP5.97
Rot. Bonds10

About N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide

N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide (PubChem CID 4733346) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
PubChem CID4733346
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC NameN-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
SMILESCCCCCCOc1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C20H23Cl2NO3/c1-2-3-4-5-12-25-15-8-6-9-16(13-15)26-14-19(24)23-18-11-7-10-17(21)20(18)22/h6-11,13H,2-5,12,14H2,1H3,(H,23,24)
InChIKeyWNSGXGZTLSJXKB-UHFFFAOYSA-N
XLogP5.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733300
N-(2,3-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732993
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
N-(2,4-dichlorophenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733090
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
CID 4733397
N-(2-hydroxyphenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733100
2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
CID 54815954
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide (CID 4733346) is N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide is CCCCCCOc1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide?
The InChIKey is WNSGXGZTLSJXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-2-3-4-5-12-25-15-8-6-9-16(13-15)26-14-19(24)23-18-11-7-10-17(21)20(18)22/h6-11,13H,2-5,12,14H2,1H3,(H,23,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide?
N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide has a molecular weight of 396.31 g/mol, XLogP of 5.97, 10 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-(3-hexoxyphenoxy)acetamide is sourced from PubChem (CID 4733346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).