3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide

C10H12BrNO3 — CID 43152589

IUPAC3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(Br)cc1CO
InChIInChI=1S/C10H12BrNO3/c11-8-1-2-9(7(5-8)6-13)15-4-3-10(12)14/h1-2,5,13H,3-4,6H2,(H2,12,14)
InChIKeyHVBKBIHMCOPTAS-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.20
Rot. Bonds5

About 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide

3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide (PubChem CID 43152589) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
PubChem CID43152589
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(Br)cc1CO
InChIInChI=1S/C10H12BrNO3/c11-8-1-2-9(7(5-8)6-13)15-4-3-10(12)14/h1-2,5,13H,3-4,6H2,(H2,12,14)
InChIKeyHVBKBIHMCOPTAS-UHFFFAOYSA-N
XLogP1.20
TPSA72.55 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
[4-bromo-2-(hydroxymethyl)phenyl] acetate
CID 130978609
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
methyl 3-[4-bromo-2-(hydroxymethyl)phenoxy]-2,2-dimethylpropanoate
CID 79624738
[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 28981464
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
3-[4-bromo-2-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899244
1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28981461

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide (CID 43152589) is 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide is NC(=O)CCOc1ccc(Br)cc1CO.
What is the InChIKey of 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is HVBKBIHMCOPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-1-2-9(7(5-8)6-13)15-4-3-10(12)14/h1-2,5,13H,3-4,6H2,(H2,12,14).
What are the key properties of 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide?
3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 274.11 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 43152589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).