N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide

C17H17Cl2NO2 — CID 4931772

IUPACN-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-3-15(22-16-7-5-4-6-11(16)2)17(21)20-14-9-8-12(18)10-13(14)19/h4-10,15H,3H2,1-2H3,(H,20,21)
InChIKeyKMPYRKBUCSZYDZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.10
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide

N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 4931772) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
PubChem CID4931772
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-3-15(22-16-7-5-4-6-11(16)2)17(21)20-14-9-8-12(18)10-13(14)19/h4-10,15H,3H2,1-2H3,(H,20,21)
InChIKeyKMPYRKBUCSZYDZ-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
(2R)-N-(2,4-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 99954003
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
N-(2,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034427
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide (CID 4931772) is N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is KMPYRKBUCSZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-15(22-16-7-5-4-6-11(16)2)17(21)20-14-9-8-12(18)10-13(14)19/h4-10,15H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide?
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 338.23 g/mol, XLogP of 5.10, 5 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-methylphenoxy)butanamide is sourced from PubChem (CID 4931772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).