N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide

C17H17BrFNO3 — CID 84884828

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(F)cc2)cc1Br
InChIInChI=1S/C17H17BrFNO3/c1-11(12-3-8-16(22-2)15(18)9-12)20-17(21)10-23-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyFWXWHSGYCNIXIT-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.85
Rot. Bonds6

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 84884828) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID84884828
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(F)cc2)cc1Br
InChIInChI=1S/C17H17BrFNO3/c1-11(12-3-8-16(22-2)15(18)9-12)20-17(21)10-23-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyFWXWHSGYCNIXIT-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963319
N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963314
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide (CID 84884828) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide is COc1ccc(C(C)NC(=O)COc2ccc(F)cc2)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is FWXWHSGYCNIXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-11(12-3-8-16(22-2)15(18)9-12)20-17(21)10-23-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 382.23 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 84884828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).