N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide

C22H27Cl2NO3 — CID 4733017

IUPACN-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
SMILESCCCCCCCCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H27Cl2NO3/c1-2-3-4-5-6-7-14-27-18-9-11-19(12-10-18)28-16-22(26)25-21-13-8-17(23)15-20(21)24/h8-13,15H,2-7,14,16H2,1H3,(H,25,26)
InChIKeyATMQWIRADNWGJU-UHFFFAOYSA-N
MW424.37 g/mol
LogP6.75
Rot. Bonds12

About N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide

N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide (PubChem CID 4733017) has the molecular formula C22H27Cl2NO3 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
PubChem CID4733017
Molecular FormulaC22H27Cl2NO3
Molecular Weight424.37 g/mol
Exact Mass423.14
IUPAC NameN-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
SMILESCCCCCCCCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H27Cl2NO3/c1-2-3-4-5-6-7-14-27-18-9-11-19(12-10-18)28-16-22(26)25-21-13-8-17(23)15-20(21)24/h8-13,15H,2-7,14,16H2,1H3,(H,25,26)
InChIKeyATMQWIRADNWGJU-UHFFFAOYSA-N
XLogP6.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 56.75
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-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(2,4-dichlorophenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733090
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
3-(2,4-dichlorophenyl)-1-[(4-pentoxyphenyl)methyl]-1-[(4-pentylphenyl)methyl]urea
CID 15137610
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773
N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733346
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 1036548

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide (CID 4733017) is N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide is CCCCCCCCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide?
The InChIKey is ATMQWIRADNWGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3/c1-2-3-4-5-6-7-14-27-18-9-11-19(12-10-18)28-16-22(26)25-21-13-8-17(23)15-20(21)24/h8-13,15H,2-7,14,16H2,1H3,(H,25,26).
What are the key properties of N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide?
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide has a molecular weight of 424.37 g/mol, XLogP of 6.75, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide is sourced from PubChem (CID 4733017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).