4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide

C14H19Cl2NO2 — CID 2838813

IUPAC4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-3-17(4-2)14(18)6-5-9-19-13-8-7-11(15)10-12(13)16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyDIOGSHAUIACCHQ-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.02
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide

4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide (PubChem CID 2838813) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide
PubChem CID2838813
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-3-17(4-2)14(18)6-5-9-19-13-8-7-11(15)10-12(13)16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyDIOGSHAUIACCHQ-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Clorgyline hydrochloride
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4-(2,4-dichlorophenoxy)-N-(tetrahydro-2-furanylmethyl)butanamide
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4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
1-[3-(2,4-Dichloro-phenoxy)-propyl]-1,2,3,6-tetrahydro-pyridine
CID 15521042
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide
CID 646152
1-[4-(4-Chlorophenoxy)butanoyl]azepane
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CID 1565337

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide (CID 2838813) is 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide is CCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide?
The InChIKey is DIOGSHAUIACCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-3-17(4-2)14(18)6-5-9-19-13-8-7-11(15)10-12(13)16/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide?
4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide has a molecular weight of 304.22 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide is sourced from PubChem (CID 2838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).