N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide

C12H16BrNO2 — CID 99826017

IUPACN-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(Br)ccc1C
InChIInChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-7-10-6-11(13)5-4-9(10)2/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyVURQMDRPAXNAER-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.41
Rot. Bonds5

About N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide

N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide (PubChem CID 99826017) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide
PubChem CID99826017
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(Br)ccc1C
InChIInChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-7-10-6-11(13)5-4-9(10)2/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyVURQMDRPAXNAER-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide (CID 99826017) is N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide?
The InChIKey is VURQMDRPAXNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-7-10-6-11(13)5-4-9(10)2/h4-6H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide?
N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 99826017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).