N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide

C18H19Cl2NO2 — CID 19176294

IUPACN-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-2-13-5-8-15(9-6-13)23-11-3-4-18(22)21-17-10-7-14(19)12-16(17)20/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChIKeyLSAHPBPMOWVJGP-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.35
Rot. Bonds7

About N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide

N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide (PubChem CID 19176294) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
PubChem CID19176294
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-2-13-5-8-15(9-6-13)23-11-3-4-18(22)21-17-10-7-14(19)12-16(17)20/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChIKeyLSAHPBPMOWVJGP-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
1-(2,4-dichlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]thiourea
CID 3309711
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
CID 19176295
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide (CID 19176294) is N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide is CCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide?
The InChIKey is LSAHPBPMOWVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-2-13-5-8-15(9-6-13)23-11-3-4-18(22)21-17-10-7-14(19)12-16(17)20/h5-10,12H,2-4,11H2,1H3,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide?
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide has a molecular weight of 352.26 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 19176294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).