N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide

C11H15BrN2O3 — CID 117488081

IUPACN-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
SMILESCNCC(O)c1c(Br)ccc(O)c1NC(C)=O
InChIInChI=1S/C11H15BrN2O3/c1-6(15)14-11-8(16)4-3-7(12)10(11)9(17)5-13-2/h3-4,9,13,16-17H,5H2,1-2H3,(H,14,15)
InChIKeyLNAFLVLWTVTFTD-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.37
Rot. Bonds4

About N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide

N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide (PubChem CID 117488081) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
PubChem CID117488081
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC NameN-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
SMILESCNCC(O)c1c(Br)ccc(O)c1NC(C)=O
InChIInChI=1S/C11H15BrN2O3/c1-6(15)14-11-8(16)4-3-7(12)10(11)9(17)5-13-2/h3-4,9,13,16-17H,5H2,1-2H3,(H,14,15)
InChIKeyLNAFLVLWTVTFTD-UHFFFAOYSA-N
XLogP1.37
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.37
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

4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393
N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 22161897
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
3-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 82400506
4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroxyurea
CID 174867789
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
CID 117481901
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;propanedioic acid
CID 146306053
3-bromo-1-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117483744

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide (CID 117488081) is N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide is CNCC(O)c1c(Br)ccc(O)c1NC(C)=O.
What is the InChIKey of N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The InChIKey is LNAFLVLWTVTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-6(15)14-11-8(16)4-3-7(12)10(11)9(17)5-13-2/h3-4,9,13,16-17H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide has a molecular weight of 303.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 117488081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).