4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide

C15H19Cl2NO3 — CID 2843381

IUPAC4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C15H19Cl2NO3/c16-11-5-6-14(13(17)9-11)21-8-2-4-15(19)18-10-12-3-1-7-20-12/h5-6,9,12H,1-4,7-8,10H2,(H,18,19)
InChIKeyGABMJAKPNJWWBI-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.45
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide

4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 2843381) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID2843381
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C15H19Cl2NO3/c16-11-5-6-14(13(17)9-11)21-8-2-4-15(19)18-10-12-3-1-7-20-12/h5-6,9,12H,1-4,7-8,10H2,(H,18,19)
InChIKeyGABMJAKPNJWWBI-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.45
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-(4-Chlorophenoxy)-N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide
CID 50990927
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
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
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
4-(4-chlorophenoxy)-N-(2-oxooxolan-3-yl)butanamide
CID 56665646
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
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-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide (CID 2843381) is 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCC1CCCO1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is GABMJAKPNJWWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c16-11-5-6-14(13(17)9-11)21-8-2-4-15(19)18-10-12-3-1-7-20-12/h5-6,9,12H,1-4,7-8,10H2,(H,18,19).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 332.23 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 2843381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).