4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide

C18H19Cl2NO2 — CID 2838387

IUPAC4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-2-13-6-3-4-7-16(13)21-18(22)8-5-11-23-17-10-9-14(19)12-15(17)20/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,21,22)
InChIKeyNSQBKAJQDZADSP-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.35
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide

4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide (PubChem CID 2838387) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
PubChem CID2838387
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-2-13-6-3-4-7-16(13)21-18(22)8-5-11-23-17-10-9-14(19)12-15(17)20/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,21,22)
InChIKeyNSQBKAJQDZADSP-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

4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide (CID 2838387) is 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide is CCc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide?
The InChIKey is NSQBKAJQDZADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-2-13-6-3-4-7-16(13)21-18(22)8-5-11-23-17-10-9-14(19)12-15(17)20/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)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 4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide is sourced from PubChem (CID 2838387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).