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

C18H19Cl2NO3 — CID 26364358

IUPACN-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-2-23-15-9-3-4-10-16(15)24-12-6-11-17(22)21-14-8-5-7-13(19)18(14)20/h3-5,7-10H,2,6,11-12H2,1H3,(H,21,22)
InChIKeyDUMWSAUDOIXPQZ-UHFFFAOYSA-N
MW368.26 g/mol
LogP5.19
Rot. Bonds8

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

N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide (PubChem CID 26364358) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
PubChem CID26364358
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC NameN-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-2-23-15-9-3-4-10-16(15)24-12-6-11-17(22)21-14-8-5-7-13(19)18(14)20/h3-5,7-10H,2,6,11-12H2,1H3,(H,21,22)
InChIKeyDUMWSAUDOIXPQZ-UHFFFAOYSA-N
XLogP5.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
CID 41270735
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-(2,3-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827691
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide (CID 26364358) is N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is DUMWSAUDOIXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-2-23-15-9-3-4-10-16(15)24-12-6-11-17(22)21-14-8-5-7-13(19)18(14)20/h3-5,7-10H,2,6,11-12H2,1H3,(H,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide?
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 368.26 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 26364358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).