N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide

C18H19Cl2NO2 — CID 17034426

IUPACN-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-16-10-13(19)5-6-15(16)20/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyFPDZREUYQSQEMW-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide

N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 17034426) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID17034426
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-16-10-13(19)5-6-15(16)20/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyFPDZREUYQSQEMW-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

N-(2,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034427
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132656992
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide (CID 17034426) is N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is FPDZREUYQSQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-16-10-13(19)5-6-15(16)20/h5-10,17H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
N-(2,5-dichlorophenyl)-2-(3,5-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-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 17034426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).