3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide

C10H13BrN2O3 — CID 115180249

IUPAC3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
SMILESCOc1ccc(Br)cc1NC(=O)C(O)CN
InChIInChI=1S/C10H13BrN2O3/c1-16-9-3-2-6(11)4-7(9)13-10(15)8(14)5-12/h2-4,8,14H,5,12H2,1H3,(H,13,15)
InChIKeyBGBGJDFZIUBZBQ-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.72
Rot. Bonds4

About 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide

3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide (PubChem CID 115180249) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
PubChem CID115180249
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
SMILESCOc1ccc(Br)cc1NC(=O)C(O)CN
InChIInChI=1S/C10H13BrN2O3/c1-16-9-3-2-6(11)4-7(9)13-10(15)8(14)5-12/h2-4,8,14H,5,12H2,1H3,(H,13,15)
InChIKeyBGBGJDFZIUBZBQ-UHFFFAOYSA-N
XLogP0.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
CID 115180320
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
(2S)-4-[(5-bromo-2-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839110
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-amino-4-(5-bromo-2-methoxyanilino)-4-oxobutanoic acid
CID 115180932
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide (CID 115180249) is 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide is COc1ccc(Br)cc1NC(=O)C(O)CN.
What is the InChIKey of 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide?
The InChIKey is BGBGJDFZIUBZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-16-9-3-2-6(11)4-7(9)13-10(15)8(14)5-12/h2-4,8,14H,5,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide?
3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide has a molecular weight of 289.13 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide is sourced from PubChem (CID 115180249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).