4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide

C17H18Cl2N2O2 — CID 2537297

IUPAC4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1
InChIInChI=1S/C17H18Cl2N2O2/c18-13-6-7-16(15(19)12-13)23-11-3-5-17(22)21-10-8-14-4-1-2-9-20-14/h1-2,4,6-7,9,12H,3,5,8,10-11H2,(H,21,22)
InChIKeyTWWAZEMXZJKEHB-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.91
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide

4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 2537297) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID2537297
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1
InChIInChI=1S/C17H18Cl2N2O2/c18-13-6-7-16(15(19)12-13)23-11-3-5-17(22)21-10-8-14-4-1-2-9-20-14/h1-2,4,6-7,9,12H,3,5,8,10-11H2,(H,21,22)
InChIKeyTWWAZEMXZJKEHB-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide (CID 2537297) is 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is TWWAZEMXZJKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c18-13-6-7-16(15(19)12-13)23-11-3-5-17(22)21-10-8-14-4-1-2-9-20-14/h1-2,4,6-7,9,12H,3,5,8,10-11H2,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 353.25 g/mol, XLogP of 3.91, 8 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-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 2537297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).