N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide

C10H11BrFNO — CID 66717796

IUPACN-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFNO/c1-7(14)13-5-4-8-6-9(12)2-3-10(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyDATGGOPNTZPIJF-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.27
Rot. Bonds3

About N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide

N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide (PubChem CID 66717796) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
PubChem CID66717796
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC NameN-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFNO/c1-7(14)13-5-4-8-6-9(12)2-3-10(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyDATGGOPNTZPIJF-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide (CID 66717796) is N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide is CC(=O)NCCc1cc(F)ccc1Br.
What is the InChIKey of N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide?
The InChIKey is DATGGOPNTZPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-7(14)13-5-4-8-6-9(12)2-3-10(8)11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide?
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide has a molecular weight of 260.11 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 66717796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).