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

C12H15Cl2NO2 — CID 2227571

IUPAC4-(2,4-dichlorophenoxy)-N-ethylbutanamide
SMILESCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-15-12(16)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyLYOAUTADFVMMQF-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.29
Rot. Bonds6

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

4-(2,4-dichlorophenoxy)-N-ethylbutanamide (PubChem CID 2227571) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-ethylbutanamide
PubChem CID2227571
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4-(2,4-dichlorophenoxy)-N-ethylbutanamide
SMILESCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-15-12(16)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyLYOAUTADFVMMQF-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.29
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

2,4-DB dimethylammonium
CID 62462
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
4-(2,4-dichlorophenoxy)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2843381
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
4-(2,4-dichlorophenoxy)-N,N-diethylbutanamide
CID 2838813
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
N-(2-(2,4,6-Trichlorophenoxy)ethyl)-1-propanamine
CID 3842173
4-(2,4-dichlorophenoxy)-N-(3-hydroxypropyl)butanamide
CID 646152
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 695016

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethylbutanamide (CID 2227571) is 4-(2,4-dichlorophenoxy)-N-ethylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-ethylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-ethylbutanamide is CCNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-ethylbutanamide?
The InChIKey is LYOAUTADFVMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-15-12(16)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-ethylbutanamide?
4-(2,4-dichlorophenoxy)-N-ethylbutanamide has a molecular weight of 276.16 g/mol, XLogP of 3.29, 6 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-ethylbutanamide is sourced from PubChem (CID 2227571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).