2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide

C17H16BrClFNO2 — CID 43077800

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H16BrClFNO2/c1-11(23-16-6-5-14(20)10-15(16)18)17(22)21-8-7-12-3-2-4-13(19)9-12/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyVWBFZSDSLXUVJY-UHFFFAOYSA-N
MW400.68 g/mol
LogP4.37
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide (PubChem CID 43077800) has the molecular formula C17H16BrClFNO2 and a molecular weight of 400.68 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
PubChem CID43077800
Molecular FormulaC17H16BrClFNO2
Molecular Weight400.68 g/mol
Exact Mass399.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H16BrClFNO2/c1-11(23-16-6-5-14(20)10-15(16)18)17(22)21-8-7-12-3-2-4-13(19)9-12/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyVWBFZSDSLXUVJY-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]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-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide (CID 43077800) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is VWBFZSDSLXUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFNO2/c1-11(23-16-6-5-14(20)10-15(16)18)17(22)21-8-7-12-3-2-4-13(19)9-12/h2-6,9-11H,7-8H2,1H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 400.68 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 43077800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).