2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide

C19H21BrFNO3 — CID 42960788

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2Br)cc1
InChIInChI=1S/C19H21BrFNO3/c1-3-24-12-15-6-4-14(5-7-15)11-22-19(23)13(2)25-18-9-8-16(21)10-17(18)20/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyCSUXHDYXYPIUKJ-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.21
Rot. Bonds8

About 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide (PubChem CID 42960788) has the molecular formula C19H21BrFNO3 and a molecular weight of 410.28 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
PubChem CID42960788
Molecular FormulaC19H21BrFNO3
Molecular Weight410.28 g/mol
Exact Mass409.07
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2Br)cc1
InChIInChI=1S/C19H21BrFNO3/c1-3-24-12-15-6-4-14(5-7-15)11-22-19(23)13(2)25-18-9-8-16(21)10-17(18)20/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyCSUXHDYXYPIUKJ-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
2-(2-bromo-4-fluorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55693983
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-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 55690465
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide (CID 42960788) is 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide is CCOCc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is CSUXHDYXYPIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO3/c1-3-24-12-15-6-4-14(5-7-15)11-22-19(23)13(2)25-18-9-8-16(21)10-17(18)20/h4-10,13H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 410.28 g/mol, XLogP of 4.21, 8 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-(ethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 42960788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).