N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide

C17H17Cl2NO3 — CID 17034086

IUPACN-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-3-14(23-16-7-5-4-6-15(16)22-2)17(21)20-11-8-9-12(18)13(19)10-11/h4-10,14H,3H2,1-2H3,(H,20,21)
InChIKeyXAWDLMICUBRQLW-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.80
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide

N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide (PubChem CID 17034086) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
PubChem CID17034086
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-3-14(23-16-7-5-4-6-15(16)22-2)17(21)20-11-8-9-12(18)13(19)10-11/h4-10,14H,3H2,1-2H3,(H,20,21)
InChIKeyXAWDLMICUBRQLW-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
CID 7443433
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide (CID 17034086) is N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide is CCC(Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
The InChIKey is XAWDLMICUBRQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-3-14(23-16-7-5-4-6-15(16)22-2)17(21)20-11-8-9-12(18)13(19)10-11/h4-10,14H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide has a molecular weight of 354.23 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 17034086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).