2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide

C10H12BrNO3 — CID 82109194

IUPAC2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccccc1OCBr
InChIInChI=1S/C10H12BrNO3/c11-7-15-9-4-2-1-3-8(9)10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyYKVSMAMUYDZUOG-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.14
Rot. Bonds5

About 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide

2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide (PubChem CID 82109194) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide
PubChem CID82109194
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccccc1OCBr
InChIInChI=1S/C10H12BrNO3/c11-7-15-9-4-2-1-3-8(9)10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyYKVSMAMUYDZUOG-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide (CID 82109194) is 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccccc1OCBr.
What is the InChIKey of 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide?
The InChIKey is YKVSMAMUYDZUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-7-15-9-4-2-1-3-8(9)10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14).
What are the key properties of 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide?
2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide has a molecular weight of 274.11 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 82109194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).