4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide

C10H13BrN2O3 — CID 167793824

IUPAC4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide
SMILESNCC(O)CC(=O)Nc1cc(Br)ccc1O
InChIInChI=1S/C10H13BrN2O3/c11-6-1-2-9(15)8(3-6)13-10(16)4-7(14)5-12/h1-3,7,14-15H,4-5,12H2,(H,13,16)
InChIKeyMGYXOLVUWIESNW-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.80
Rot. Bonds4

About 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide

4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide (PubChem CID 167793824) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide
PubChem CID167793824
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide
SMILESNCC(O)CC(=O)Nc1cc(Br)ccc1O
InChIInChI=1S/C10H13BrN2O3/c11-6-1-2-9(15)8(3-6)13-10(16)4-7(14)5-12/h1-3,7,14-15H,4-5,12H2,(H,13,16)
InChIKeyMGYXOLVUWIESNW-UHFFFAOYSA-N
XLogP0.80
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
CID 82688311
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638
3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 71721725
3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
CID 115180320
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide?
The IUPAC name of 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide (CID 167793824) is 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide is NCC(O)CC(=O)Nc1cc(Br)ccc1O.
What is the InChIKey of 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide?
The InChIKey is MGYXOLVUWIESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c11-6-1-2-9(15)8(3-6)13-10(16)4-7(14)5-12/h1-3,7,14-15H,4-5,12H2,(H,13,16).
What are the key properties of 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide?
4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide has a molecular weight of 289.13 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide is sourced from PubChem (CID 167793824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).