2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide

C19H20BrF2NO3 — CID 55685733

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H20BrF2NO3/c1-13(26-18-9-6-15(22)12-17(18)20)19(24)23-10-2-3-11-25-16-7-4-14(21)5-8-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24)
InChIKeySOYBUAGLNQBEOR-UHFFFAOYSA-N
MW428.27 g/mol
LogP4.47
Rot. Bonds9

About 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide (PubChem CID 55685733) has the molecular formula C19H20BrF2NO3 and a molecular weight of 428.27 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
PubChem CID55685733
Molecular FormulaC19H20BrF2NO3
Molecular Weight428.27 g/mol
Exact Mass427.06
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H20BrF2NO3/c1-13(26-18-9-6-15(22)12-17(18)20)19(24)23-10-2-3-11-25-16-7-4-14(21)5-8-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24)
InChIKeySOYBUAGLNQBEOR-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504
2-(2-bromo-4-fluorophenoxy)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 49032045
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide (CID 55685733) is 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The InChIKey is SOYBUAGLNQBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2NO3/c1-13(26-18-9-6-15(22)12-17(18)20)19(24)23-10-2-3-11-25-16-7-4-14(21)5-8-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide has a molecular weight of 428.27 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide is sourced from PubChem (CID 55685733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).