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

C17H17Cl2NO3 — CID 46772626

IUPACN-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-16(23-13-6-4-5-12(10-13)22-2)17(21)20-15-9-11(18)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyDGMYKBNMOUHYSH-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.80
Rot. Bonds6

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

N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 46772626) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID46772626
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-16(23-13-6-4-5-12(10-13)22-2)17(21)20-15-9-11(18)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyDGMYKBNMOUHYSH-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

Analyze N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 99952036
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide (CID 46772626) is N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide is CCC(Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is DGMYKBNMOUHYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-3-16(23-13-6-4-5-12(10-13)22-2)17(21)20-15-9-11(18)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
N-(2,5-dichlorophenyl)-2-(3-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-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 46772626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).