2-(2,4-dichlorophenoxy)-N-dodecylpropanamide

C21H33Cl2NO2 — CID 4582803

IUPAC2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H33Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-15-24-21(25)17(2)26-20-14-13-18(22)16-19(20)23/h13-14,16-17H,3-12,15H2,1-2H3,(H,24,25)
InChIKeyCPYHFPGPUHQGDI-UHFFFAOYSA-N
MW402.41 g/mol
LogP6.80
Rot. Bonds14

About 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide

2-(2,4-dichlorophenoxy)-N-dodecylpropanamide (PubChem CID 4582803) has the molecular formula C21H33Cl2NO2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
PubChem CID4582803
Molecular FormulaC21H33Cl2NO2
Molecular Weight402.41 g/mol
Exact Mass401.19
IUPAC Name2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H33Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-15-24-21(25)17(2)26-20-14-13-18(22)16-19(20)23/h13-14,16-17H,3-12,15H2,1-2H3,(H,24,25)
InChIKeyCPYHFPGPUHQGDI-UHFFFAOYSA-N
XLogP6.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
CID 82913977
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide (CID 4582803) is 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide is CCCCCCCCCCCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide?
The InChIKey is CPYHFPGPUHQGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-15-24-21(25)17(2)26-20-14-13-18(22)16-19(20)23/h13-14,16-17H,3-12,15H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide?
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide has a molecular weight of 402.41 g/mol, XLogP of 6.80, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-dodecylpropanamide is sourced from PubChem (CID 4582803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).