N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide

C18H19Cl2NO2 — CID 43885937

IUPACN-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-4-15(23-16-10-5-7-11(2)12(16)3)18(22)21-14-9-6-8-13(19)17(14)20/h5-10,15H,4H2,1-3H3,(H,21,22)
InChIKeyUGZYIPQSJXFKNM-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide

N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 43885937) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID43885937
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-4-15(23-16-10-5-7-11(2)12(16)3)18(22)21-14-9-6-8-13(19)17(14)20/h5-10,15H,4H2,1-3H3,(H,21,22)
InChIKeyUGZYIPQSJXFKNM-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593
(2R)-N-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
methyl 4-chloro-3-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]benzoate
CID 30396160
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 43885937) is N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is UGZYIPQSJXFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-4-15(23-16-10-5-7-11(2)12(16)3)18(22)21-14-9-6-8-13(19)17(14)20/h5-10,15H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 352.26 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 43885937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).