N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide

C18H19Cl2NO2 — CID 46770459

IUPACN-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-10-7-11(2)12(3)17(8-10)23-13(4)18(22)21-16-6-5-14(19)9-15(16)20/h5-9,13H,1-4H3,(H,21,22)
InChIKeyPIZAAMFWYXMVNG-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.32
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide

N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 46770459) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID46770459
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-10-7-11(2)12(3)17(8-10)23-13(4)18(22)21-16-6-5-14(19)9-15(16)20/h5-9,13H,1-4H3,(H,21,22)
InChIKeyPIZAAMFWYXMVNG-UHFFFAOYSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 38018180
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide (CID 46770459) is N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OC(C)C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is PIZAAMFWYXMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-10-7-11(2)12(3)17(8-10)23-13(4)18(22)21-16-6-5-14(19)9-15(16)20/h5-9,13H,1-4H3,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 352.26 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 46770459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).