N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide

C18H19Cl2NO2 — CID 54776466

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-3-17(23-15-8-4-12(2)5-9-15)18(22)21-11-13-6-7-14(19)10-16(13)20/h4-10,17H,3,11H2,1-2H3,(H,21,22)
InChIKeyRGWGFLUGTYFFGJ-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.78
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide

N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide (PubChem CID 54776466) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
PubChem CID54776466
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-3-17(23-15-8-4-12(2)5-9-15)18(22)21-11-13-6-7-14(19)10-16(13)20/h4-10,17H,3,11H2,1-2H3,(H,21,22)
InChIKeyRGWGFLUGTYFFGJ-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
CID 99956967
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54785489
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
2-(4-chloro-3-methylphenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]butanamide
CID 132673957
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 9173663
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
(2R)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)butanamide
CID 28635218

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide (CID 54776466) is N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is RGWGFLUGTYFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-17(23-15-8-4-12(2)5-9-15)18(22)21-11-13-6-7-14(19)10-16(13)20/h4-10,17H,3,11H2,1-2H3,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide?
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 352.26 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 54776466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).