N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide

C9H9BrFNO2 — CID 68892319

IUPACN-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1c(F)cc(Br)cc1NC(C)=O
InChIInChI=1S/C9H9BrFNO2/c1-5(13)12-8-4-6(10)3-7(11)9(8)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyQMWSPUYRYORKTP-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.56
Rot. Bonds2

About N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide

N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide (PubChem CID 68892319) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide
PubChem CID68892319
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC NameN-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1c(F)cc(Br)cc1NC(C)=O
InChIInChI=1S/C9H9BrFNO2/c1-5(13)12-8-4-6(10)3-7(11)9(8)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyQMWSPUYRYORKTP-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide (CID 68892319) is N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide is COc1c(F)cc(Br)cc1NC(C)=O.
What is the InChIKey of N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide?
The InChIKey is QMWSPUYRYORKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-5(13)12-8-4-6(10)3-7(11)9(8)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide?
N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide has a molecular weight of 262.08 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-fluoro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 68892319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).