2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide

C15H13BrFNO3 — CID 1248222

IUPAC2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1CO)Nc1ccccc1F
InChIInChI=1S/C15H13BrFNO3/c16-11-5-6-14(10(7-11)8-19)21-9-15(20)18-13-4-2-1-3-12(13)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyUVDSMDCHUQVMMB-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.10
Rot. Bonds5

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

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 1248222) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID1248222
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1CO)Nc1ccccc1F
InChIInChI=1S/C15H13BrFNO3/c16-11-5-6-14(10(7-11)8-19)21-9-15(20)18-13-4-2-1-3-12(13)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyUVDSMDCHUQVMMB-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.10
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-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide (CID 1248222) is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(Br)cc1CO)Nc1ccccc1F.
What is the InChIKey of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is UVDSMDCHUQVMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c16-11-5-6-14(10(7-11)8-19)21-9-15(20)18-13-4-2-1-3-12(13)17/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 354.18 g/mol, XLogP of 3.10, 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1248222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).