2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide

C15H14BrNO3 — CID 972563

IUPAC2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1CO)Nc1ccccc1
InChIInChI=1S/C15H14BrNO3/c16-12-6-7-14(11(8-12)9-18)20-10-15(19)17-13-4-2-1-3-5-13/h1-8,18H,9-10H2,(H,17,19)
InChIKeyYJRDTKBLHCTIEQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide (PubChem CID 972563) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide
PubChem CID972563
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1CO)Nc1ccccc1
InChIInChI=1S/C15H14BrNO3/c16-12-6-7-14(11(8-12)9-18)20-10-15(19)17-13-4-2-1-3-5-13/h1-8,18H,9-10H2,(H,17,19)
InChIKeyYJRDTKBLHCTIEQ-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide (CID 972563) is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide is O=C(COc1ccc(Br)cc1CO)Nc1ccccc1.
What is the InChIKey of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide?
The InChIKey is YJRDTKBLHCTIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-12-6-7-14(11(8-12)9-18)20-10-15(19)17-13-4-2-1-3-5-13/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide?
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide has a molecular weight of 336.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 972563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).