N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide

C10H11BrFNO2 — CID 103274707

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H11BrFNO2/c1-6-3-8(12)7(11)4-9(6)13-10(14)5-15-2/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyKHFLXDLLTGRXDE-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.48
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide (PubChem CID 103274707) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide
PubChem CID103274707
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H11BrFNO2/c1-6-3-8(12)7(11)4-9(6)13-10(14)5-15-2/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyKHFLXDLLTGRXDE-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide (CID 103274707) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide?
The InChIKey is KHFLXDLLTGRXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6-3-8(12)7(11)4-9(6)13-10(14)5-15-2/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide has a molecular weight of 276.11 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 103274707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).